N-[(1S,2R)-2-[[8-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]cyclopentyl]prop-2-enamide;N-[(3R,4S)-4-[[7-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[8-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(1S,2R)-2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-fluoroquinazolin-2-yl]amino]cyclohexyl]prop-2-enamide

C95H90Cl11FN16O14 — CID 159097263

About N-[(1S,2R)-2-[[8-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]cyclopentyl]prop-2-enamide;N-[(3R,4S)-4-[[7-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[8-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(1S,2R)-2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-fluoroquinazolin-2-yl]amino]cyclohexyl]prop-2-enamide

N-[(1S,2R)-2-[[8-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]cyclopentyl]prop-2-enamide;N-[(3R,4S)-4-[[7-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[8-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(1S,2R)-2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-fluoroquinazolin-2-yl]amino]cyclohexyl]prop-2-enamide (PubChem CID 159097263) has the molecular formula C95H90Cl11FN16O14 and a molecular weight of 2088.84 g/mol. Its IUPAC name is N-[(1S,2R)-2-[[8-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]cyclopentyl]prop-2-enamide;N-[(3R,4S)-4-[[7-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[8-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(1S,2R)-2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-fluoroquinazolin-2-yl]amino]cyclohexyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[(1S,2R)-2-[[8-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]cyclopentyl]prop-2-enamide;N-[(3R,4S)-4-[[7-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[8-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(1S,2R)-2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-fluoroquinazolin-2-yl]amino]cyclohexyl]prop-2-enamide
• PubChem CID: 159097263
• Molecular Formula: C95H90Cl11FN16O14
• Molecular Weight: 2088.84 g/mol
• Exact Mass: 2082.34
• IUPAC Name: N-[(1S,2R)-2-[[8-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]cyclopentyl]prop-2-enamide;N-[(3R,4S)-4-[[7-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[8-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(1S,2R)-2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-fluoroquinazolin-2-yl]amino]cyclohexyl]prop-2-enamide
• SMILES: C=CC(=O)N[C@H]1CCCC[C@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc(F)c2n1.C=CC(=O)N[C@H]1CCC[C@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc(Cl)c2n1.C=CC(=O)N[C@H]1COC[C@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(Cl)cc2n1.C=CC(=O)N[C@H]1COC[C@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc(Cl)c2n1
• InChI: InChI=1S/C25H25Cl2FN4O3.C24H23Cl3N4O3.2C23H21Cl3N4O4/c1-4-20(33)30-16-7-5-6-8-17(16)31-25-29-12-14-9-13(10-15(28)24(14)32-25)21-22(26)18(34-2)11-19(35-3)23(21)27;1-4-19(32)29-15-6-5-7-16(15)30-24-28-11-13-8-12(9-14(25)23(13)31-24)20-21(26)17(33-2)10-18(34-3)22(20)27;1-4-19(31)28-15-9-34-10-16(15)30-23-27-8-11-5-12(13(24)6-14(11)29-23)20-21(25)17(32-2)7-18(33-3)22(20)26;1-4-18(31)28-14-9-34-10-15(14)29-23-27-8-12-5-11(6-13(24)22(12)30-23)19-20(25)16(32-2)7-17(33-3)21(19)26/h4,9-12,16-17H,1,5-8H2,2-3H3,(H,30,33)(H,29,31,32);4,8-11,15-16H,1,5-7H2,2-3H3,(H,29,32)(H,28,30,31);4-8,15-16H,1,9-10H2,2-3H3,(H,28,31)(H,27,29,30);4-8,14-15H,1,9-10H2,2-3H3,(H,28,31)(H,27,29,30)/t16-,17+;2*15-,16+;14-,15+/m0000/s1
• InChIKey: KCVBBDDNABCBRN-DHUPCXMQSA-N
• XLogP: 21.21
• TPSA: 359.94 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 28
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2088.84
LogP ≤ 5	21.21
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-[[8-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]cyclopentyl]prop-2-enamide;N-[(3R,4S)-4-[[7-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[8-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(1S,2R)-2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-fluoroquinazolin-2-yl]amino]cyclohexyl]prop-2-enamide?

The IUPAC name of N-[(1S,2R)-2-[[8-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]cyclopentyl]prop-2-enamide;N-[(3R,4S)-4-[[7-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[8-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(1S,2R)-2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-fluoroquinazolin-2-yl]amino]cyclohexyl]prop-2-enamide (CID 159097263) is N-[(1S,2R)-2-[[8-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]cyclopentyl]prop-2-enamide;N-[(3R,4S)-4-[[7-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[8-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(1S,2R)-2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-fluoroquinazolin-2-yl]amino]cyclohexyl]prop-2-enamide.

What is the SMILES notation for N-[(1S,2R)-2-[[8-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]cyclopentyl]prop-2-enamide;N-[(3R,4S)-4-[[7-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[8-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(1S,2R)-2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-fluoroquinazolin-2-yl]amino]cyclohexyl]prop-2-enamide?

The canonical SMILES for N-[(1S,2R)-2-[[8-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]cyclopentyl]prop-2-enamide;N-[(3R,4S)-4-[[7-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[8-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(1S,2R)-2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-fluoroquinazolin-2-yl]amino]cyclohexyl]prop-2-enamide is C=CC(=O)N[C@H]1CCCC[C@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc(F)c2n1.C=CC(=O)N[C@H]1CCC[C@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc(Cl)c2n1.C=CC(=O)N[C@H]1COC[C@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(Cl)cc2n1.C=CC(=O)N[C@H]1COC[C@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc(Cl)c2n1.

What is the InChIKey of N-[(1S,2R)-2-[[8-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]cyclopentyl]prop-2-enamide;N-[(3R,4S)-4-[[7-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[8-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(1S,2R)-2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-fluoroquinazolin-2-yl]amino]cyclohexyl]prop-2-enamide?

The InChIKey is KCVBBDDNABCBRN-DHUPCXMQSA-N. The full InChI is InChI=1S/C25H25Cl2FN4O3.C24H23Cl3N4O3.2C23H21Cl3N4O4/c1-4-20(33)30-16-7-5-6-8-17(16)31-25-29-12-14-9-13(10-15(28)24(14)32-25)21-22(26)18(34-2)11-19(35-3)23(21)27;1-4-19(32)29-15-6-5-7-16(15)30-24-28-11-13-8-12(9-14(25)23(13)31-24)20-21(26)17(33-2)10-18(34-3)22(20)27;1-4-19(31)28-15-9-34-10-16(15)30-23-27-8-11-5-12(13(24)6-14(11)29-23)20-21(25)17(32-2)7-18(33-3)22(20)26;1-4-18(31)28-14-9-34-10-15(14)29-23-27-8-12-5-11(6-13(24)22(12)30-23)19-20(25)16(32-2)7-17(33-3)21(19)26/h4,9-12,16-17H,1,5-8H2,2-3H3,(H,30,33)(H,29,31,32);4,8-11,15-16H,1,5-7H2,2-3H3,(H,29,32)(H,28,30,31);4-8,15-16H,1,9-10H2,2-3H3,(H,28,31)(H,27,29,30);4-8,14-15H,1,9-10H2,2-3H3,(H,28,31)(H,27,29,30)/t16-,17+;2*15-,16+;14-,15+/m0000/s1.

What are the key properties of N-[(1S,2R)-2-[[8-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]cyclopentyl]prop-2-enamide;N-[(3R,4S)-4-[[7-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[8-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(1S,2R)-2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-fluoroquinazolin-2-yl]amino]cyclohexyl]prop-2-enamide?

N-[(1S,2R)-2-[[8-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]cyclopentyl]prop-2-enamide;N-[(3R,4S)-4-[[7-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[8-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(1S,2R)-2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-fluoroquinazolin-2-yl]amino]cyclohexyl]prop-2-enamide has a molecular weight of 2088.84 g/mol, XLogP of 21.21, 28 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,2R)-2-[[8-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]cyclopentyl]prop-2-enamide;N-[(3R,4S)-4-[[7-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[8-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(1S,2R)-2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-fluoroquinazolin-2-yl]amino]cyclohexyl]prop-2-enamide is sourced from PubChem (CID 159097263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).