(4S)-6-chloro-4-cyclopropyl-3-(2,2-difluoropropyl)-4-(4-fluorophenyl)-1H-quinazolin-2-one;6-chloro-3,4-diethyl-4-phenyl-1H-quinazolin-2-one;1-(3-chloro-5-methylphenyl)-3-[1-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-4-fluoropiperidin-4-yl]propan-1-one;1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pentan-1-one;(4S)-1-(4-cyclopropylphenyl)-4-[5-(2,2-difluoropropoxy)-2-pyridinyl]pentan-2-one;(4S)-4-[5-(2,2-difluoropropoxy)-2-pyridinyl]-1-[4-(3-methylpyrazin-2-yl)phenyl]pentan-2-one;N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[2-[2-(2-methoxyethoxy)phenyl]ethyl]piperidin-4-yl]acetamide

C157H186Cl4F9N13O12 — CID 157268179

About (4S)-6-chloro-4-cyclopropyl-3-(2,2-difluoropropyl)-4-(4-fluorophenyl)-1H-quinazolin-2-one;6-chloro-3,4-diethyl-4-phenyl-1H-quinazolin-2-one;1-(3-chloro-5-methylphenyl)-3-[1-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-4-fluoropiperidin-4-yl]propan-1-one;1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pentan-1-one;(4S)-1-(4-cyclopropylphenyl)-4-[5-(2,2-difluoropropoxy)-2-pyridinyl]pentan-2-one;(4S)-4-[5-(2,2-difluoropropoxy)-2-pyridinyl]-1-[4-(3-methylpyrazin-2-yl)phenyl]pentan-2-one;N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[2-[2-(2-methoxyethoxy)phenyl]ethyl]piperidin-4-yl]acetamide

(4S)-6-chloro-4-cyclopropyl-3-(2,2-difluoropropyl)-4-(4-fluorophenyl)-1H-quinazolin-2-one;6-chloro-3,4-diethyl-4-phenyl-1H-quinazolin-2-one;1-(3-chloro-5-methylphenyl)-3-[1-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-4-fluoropiperidin-4-yl]propan-1-one;1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pentan-1-one;(4S)-1-(4-cyclopropylphenyl)-4-[5-(2,2-difluoropropoxy)-2-pyridinyl]pentan-2-one;(4S)-4-[5-(2,2-difluoropropoxy)-2-pyridinyl]-1-[4-(3-methylpyrazin-2-yl)phenyl]pentan-2-one;N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[2-[2-(2-methoxyethoxy)phenyl]ethyl]piperidin-4-yl]acetamide (PubChem CID 157268179) has the molecular formula C157H186Cl4F9N13O12 and a molecular weight of 2760.09 g/mol. Its IUPAC name is (4S)-6-chloro-4-cyclopropyl-3-(2,2-difluoropropyl)-4-(4-fluorophenyl)-1H-quinazolin-2-one;6-chloro-3,4-diethyl-4-phenyl-1H-quinazolin-2-one;1-(3-chloro-5-methylphenyl)-3-[1-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-4-fluoropiperidin-4-yl]propan-1-one;1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pentan-1-one;(4S)-1-(4-cyclopropylphenyl)-4-[5-(2,2-difluoropropoxy)-2-pyridinyl]pentan-2-one;(4S)-4-[5-(2,2-difluoropropoxy)-2-pyridinyl]-1-[4-(3-methylpyrazin-2-yl)phenyl]pentan-2-one;N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[2-[2-(2-methoxyethoxy)phenyl]ethyl]piperidin-4-yl]acetamide.

Molecular Properties

• Compound Name: (4S)-6-chloro-4-cyclopropyl-3-(2,2-difluoropropyl)-4-(4-fluorophenyl)-1H-quinazolin-2-one;6-chloro-3,4-diethyl-4-phenyl-1H-quinazolin-2-one;1-(3-chloro-5-methylphenyl)-3-[1-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-4-fluoropiperidin-4-yl]propan-1-one;1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pentan-1-one;(4S)-1-(4-cyclopropylphenyl)-4-[5-(2,2-difluoropropoxy)-2-pyridinyl]pentan-2-one;(4S)-4-[5-(2,2-difluoropropoxy)-2-pyridinyl]-1-[4-(3-methylpyrazin-2-yl)phenyl]pentan-2-one;N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[2-[2-(2-methoxyethoxy)phenyl]ethyl]piperidin-4-yl]acetamide
• PubChem CID: 157268179
• Molecular Formula: C157H186Cl4F9N13O12
• Molecular Weight: 2760.09 g/mol
• Exact Mass: 2756.30
• IUPAC Name: (4S)-6-chloro-4-cyclopropyl-3-(2,2-difluoropropyl)-4-(4-fluorophenyl)-1H-quinazolin-2-one;6-chloro-3,4-diethyl-4-phenyl-1H-quinazolin-2-one;1-(3-chloro-5-methylphenyl)-3-[1-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-4-fluoropiperidin-4-yl]propan-1-one;1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pentan-1-one;(4S)-1-(4-cyclopropylphenyl)-4-[5-(2,2-difluoropropoxy)-2-pyridinyl]pentan-2-one;(4S)-4-[5-(2,2-difluoropropoxy)-2-pyridinyl]-1-[4-(3-methylpyrazin-2-yl)phenyl]pentan-2-one;N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[2-[2-(2-methoxyethoxy)phenyl]ethyl]piperidin-4-yl]acetamide
• SMILES: CC(F)(F)CN1C(=O)Nc2ccc(Cl)cc2[C@@]1(c1ccc(F)cc1)C1CC1.CCCCC(=O)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1.CCN1C(=O)Nc2ccc(Cl)cc2C1(CC)c1ccccc1.COCCOc1ccccc1CCN1CCC(CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)CC1.C[C@@H](CC(=O)Cc1ccc(C2CC2)cc1)c1ccc(OCC(C)(F)F)cn1.Cc1cc(Cl)cc(C(=O)CCC2(F)CCN(C[C@H]3CCOC(C)(C)C3)CC2)c1.Cc1nccnc1-c1ccc(CC(=O)C[C@H](C)c2ccc(OCC(C)(F)F)cn2)cc1
• InChI: InChI=1S/C28H39FN2O3.C24H25F2N3O2.C23H33ClFNO2.C22H27ClN2O.C22H25F2NO2.C20H18ClF3N2O.C18H19ClN2O/c1-21(2)28(24-8-10-25(29)11-9-24)30-27(32)20-22-12-15-31(16-13-22)17-14-23-6-4-5-7-26(23)34-19-18-33-3;1-16(22-9-8-21(14-29-22)31-15-24(3,25)26)12-20(30)13-18-4-6-19(7-5-18)23-17(2)27-10-11-28-23;1-17-12-19(14-20(24)13-17)21(27)4-6-23(25)7-9-26(10-8-23)16-18-5-11-28-22(2,3)15-18;1-2-3-9-21(26)24-14-16-25(17-15-24)22(18-7-5-4-6-8-18)19-10-12-20(23)13-11-19;1-15(21-10-9-20(13-25-21)27-14-22(2,23)24)11-19(26)12-16-3-5-17(6-4-16)18-7-8-18;1-19(23,24)11-26-18(27)25-17-9-6-14(21)10-16(17)20(26,12-2-3-12)13-4-7-15(22)8-5-13;1-3-18(13-8-6-5-7-9-13)15-12-14(19)10-11-16(15)20-17(22)21(18)4-2/h4-11,21-22,28H,12-20H2,1-3H3,(H,30,32);4-11,14,16H,12-13,15H2,1-3H3;12-14,18H,4-11,15-16H2,1-3H3;4-8,10-13,22H,2-3,9,14-17H2,1H3;3-6,9-10,13,15,18H,7-8,11-12,14H2,1-2H3;4-10,12H,2-3,11H2,1H3,(H,25,27);5-12H,3-4H2,1-2H3,(H,20,22)/t28-;16-;18-;;15-;20-;/m100.00./s1
• InChIKey: AYFQXQBIAUJXRC-QJKSYUMRSA-N
• XLogP: 36.37
• TPSA: 272.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 49
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2760.09
LogP ≤ 5	36.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4S)-6-chloro-4-cyclopropyl-3-(2,2-difluoropropyl)-4-(4-fluorophenyl)-1H-quinazolin-2-one;6-chloro-3,4-diethyl-4-phenyl-1H-quinazolin-2-one;1-(3-chloro-5-methylphenyl)-3-[1-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-4-fluoropiperidin-4-yl]propan-1-one;1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pentan-1-one;(4S)-1-(4-cyclopropylphenyl)-4-[5-(2,2-difluoropropoxy)-2-pyridinyl]pentan-2-one;(4S)-4-[5-(2,2-difluoropropoxy)-2-pyridinyl]-1-[4-(3-methylpyrazin-2-yl)phenyl]pentan-2-one;N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[2-[2-(2-methoxyethoxy)phenyl]ethyl]piperidin-4-yl]acetamide?

The IUPAC name of (4S)-6-chloro-4-cyclopropyl-3-(2,2-difluoropropyl)-4-(4-fluorophenyl)-1H-quinazolin-2-one;6-chloro-3,4-diethyl-4-phenyl-1H-quinazolin-2-one;1-(3-chloro-5-methylphenyl)-3-[1-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-4-fluoropiperidin-4-yl]propan-1-one;1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pentan-1-one;(4S)-1-(4-cyclopropylphenyl)-4-[5-(2,2-difluoropropoxy)-2-pyridinyl]pentan-2-one;(4S)-4-[5-(2,2-difluoropropoxy)-2-pyridinyl]-1-[4-(3-methylpyrazin-2-yl)phenyl]pentan-2-one;N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[2-[2-(2-methoxyethoxy)phenyl]ethyl]piperidin-4-yl]acetamide (CID 157268179) is (4S)-6-chloro-4-cyclopropyl-3-(2,2-difluoropropyl)-4-(4-fluorophenyl)-1H-quinazolin-2-one;6-chloro-3,4-diethyl-4-phenyl-1H-quinazolin-2-one;1-(3-chloro-5-methylphenyl)-3-[1-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-4-fluoropiperidin-4-yl]propan-1-one;1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pentan-1-one;(4S)-1-(4-cyclopropylphenyl)-4-[5-(2,2-difluoropropoxy)-2-pyridinyl]pentan-2-one;(4S)-4-[5-(2,2-difluoropropoxy)-2-pyridinyl]-1-[4-(3-methylpyrazin-2-yl)phenyl]pentan-2-one;N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[2-[2-(2-methoxyethoxy)phenyl]ethyl]piperidin-4-yl]acetamide.

What is the SMILES notation for (4S)-6-chloro-4-cyclopropyl-3-(2,2-difluoropropyl)-4-(4-fluorophenyl)-1H-quinazolin-2-one;6-chloro-3,4-diethyl-4-phenyl-1H-quinazolin-2-one;1-(3-chloro-5-methylphenyl)-3-[1-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-4-fluoropiperidin-4-yl]propan-1-one;1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pentan-1-one;(4S)-1-(4-cyclopropylphenyl)-4-[5-(2,2-difluoropropoxy)-2-pyridinyl]pentan-2-one;(4S)-4-[5-(2,2-difluoropropoxy)-2-pyridinyl]-1-[4-(3-methylpyrazin-2-yl)phenyl]pentan-2-one;N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[2-[2-(2-methoxyethoxy)phenyl]ethyl]piperidin-4-yl]acetamide?

The canonical SMILES for (4S)-6-chloro-4-cyclopropyl-3-(2,2-difluoropropyl)-4-(4-fluorophenyl)-1H-quinazolin-2-one;6-chloro-3,4-diethyl-4-phenyl-1H-quinazolin-2-one;1-(3-chloro-5-methylphenyl)-3-[1-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-4-fluoropiperidin-4-yl]propan-1-one;1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pentan-1-one;(4S)-1-(4-cyclopropylphenyl)-4-[5-(2,2-difluoropropoxy)-2-pyridinyl]pentan-2-one;(4S)-4-[5-(2,2-difluoropropoxy)-2-pyridinyl]-1-[4-(3-methylpyrazin-2-yl)phenyl]pentan-2-one;N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[2-[2-(2-methoxyethoxy)phenyl]ethyl]piperidin-4-yl]acetamide is CC(F)(F)CN1C(=O)Nc2ccc(Cl)cc2[C@@]1(c1ccc(F)cc1)C1CC1.CCCCC(=O)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1.CCN1C(=O)Nc2ccc(Cl)cc2C1(CC)c1ccccc1.COCCOc1ccccc1CCN1CCC(CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)CC1.C[C@@H](CC(=O)Cc1ccc(C2CC2)cc1)c1ccc(OCC(C)(F)F)cn1.Cc1cc(Cl)cc(C(=O)CCC2(F)CCN(C[C@H]3CCOC(C)(C)C3)CC2)c1.Cc1nccnc1-c1ccc(CC(=O)C[C@H](C)c2ccc(OCC(C)(F)F)cn2)cc1.

What is the InChIKey of (4S)-6-chloro-4-cyclopropyl-3-(2,2-difluoropropyl)-4-(4-fluorophenyl)-1H-quinazolin-2-one;6-chloro-3,4-diethyl-4-phenyl-1H-quinazolin-2-one;1-(3-chloro-5-methylphenyl)-3-[1-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-4-fluoropiperidin-4-yl]propan-1-one;1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pentan-1-one;(4S)-1-(4-cyclopropylphenyl)-4-[5-(2,2-difluoropropoxy)-2-pyridinyl]pentan-2-one;(4S)-4-[5-(2,2-difluoropropoxy)-2-pyridinyl]-1-[4-(3-methylpyrazin-2-yl)phenyl]pentan-2-one;N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[2-[2-(2-methoxyethoxy)phenyl]ethyl]piperidin-4-yl]acetamide?

The InChIKey is AYFQXQBIAUJXRC-QJKSYUMRSA-N. The full InChI is InChI=1S/C28H39FN2O3.C24H25F2N3O2.C23H33ClFNO2.C22H27ClN2O.C22H25F2NO2.C20H18ClF3N2O.C18H19ClN2O/c1-21(2)28(24-8-10-25(29)11-9-24)30-27(32)20-22-12-15-31(16-13-22)17-14-23-6-4-5-7-26(23)34-19-18-33-3;1-16(22-9-8-21(14-29-22)31-15-24(3,25)26)12-20(30)13-18-4-6-19(7-5-18)23-17(2)27-10-11-28-23;1-17-12-19(14-20(24)13-17)21(27)4-6-23(25)7-9-26(10-8-23)16-18-5-11-28-22(2,3)15-18;1-2-3-9-21(26)24-14-16-25(17-15-24)22(18-7-5-4-6-8-18)19-10-12-20(23)13-11-19;1-15(21-10-9-20(13-25-21)27-14-22(2,23)24)11-19(26)12-16-3-5-17(6-4-16)18-7-8-18;1-19(23,24)11-26-18(27)25-17-9-6-14(21)10-16(17)20(26,12-2-3-12)13-4-7-15(22)8-5-13;1-3-18(13-8-6-5-7-9-13)15-12-14(19)10-11-16(15)20-17(22)21(18)4-2/h4-11,21-22,28H,12-20H2,1-3H3,(H,30,32);4-11,14,16H,12-13,15H2,1-3H3;12-14,18H,4-11,15-16H2,1-3H3;4-8,10-13,22H,2-3,9,14-17H2,1H3;3-6,9-10,13,15,18H,7-8,11-12,14H2,1-2H3;4-10,12H,2-3,11H2,1H3,(H,25,27);5-12H,3-4H2,1-2H3,(H,20,22)/t28-;16-;18-;;15-;20-;/m100.00./s1.

What are the key properties of (4S)-6-chloro-4-cyclopropyl-3-(2,2-difluoropropyl)-4-(4-fluorophenyl)-1H-quinazolin-2-one;6-chloro-3,4-diethyl-4-phenyl-1H-quinazolin-2-one;1-(3-chloro-5-methylphenyl)-3-[1-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-4-fluoropiperidin-4-yl]propan-1-one;1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pentan-1-one;(4S)-1-(4-cyclopropylphenyl)-4-[5-(2,2-difluoropropoxy)-2-pyridinyl]pentan-2-one;(4S)-4-[5-(2,2-difluoropropoxy)-2-pyridinyl]-1-[4-(3-methylpyrazin-2-yl)phenyl]pentan-2-one;N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[2-[2-(2-methoxyethoxy)phenyl]ethyl]piperidin-4-yl]acetamide?

(4S)-6-chloro-4-cyclopropyl-3-(2,2-difluoropropyl)-4-(4-fluorophenyl)-1H-quinazolin-2-one;6-chloro-3,4-diethyl-4-phenyl-1H-quinazolin-2-one;1-(3-chloro-5-methylphenyl)-3-[1-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-4-fluoropiperidin-4-yl]propan-1-one;1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pentan-1-one;(4S)-1-(4-cyclopropylphenyl)-4-[5-(2,2-difluoropropoxy)-2-pyridinyl]pentan-2-one;(4S)-4-[5-(2,2-difluoropropoxy)-2-pyridinyl]-1-[4-(3-methylpyrazin-2-yl)phenyl]pentan-2-one;N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[2-[2-(2-methoxyethoxy)phenyl]ethyl]piperidin-4-yl]acetamide has a molecular weight of 2760.09 g/mol, XLogP of 36.37, 49 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-6-chloro-4-cyclopropyl-3-(2,2-difluoropropyl)-4-(4-fluorophenyl)-1H-quinazolin-2-one;6-chloro-3,4-diethyl-4-phenyl-1H-quinazolin-2-one;1-(3-chloro-5-methylphenyl)-3-[1-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-4-fluoropiperidin-4-yl]propan-1-one;1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pentan-1-one;(4S)-1-(4-cyclopropylphenyl)-4-[5-(2,2-difluoropropoxy)-2-pyridinyl]pentan-2-one;(4S)-4-[5-(2,2-difluoropropoxy)-2-pyridinyl]-1-[4-(3-methylpyrazin-2-yl)phenyl]pentan-2-one;N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[2-[2-(2-methoxyethoxy)phenyl]ethyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 157268179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).