7-[(3-cyclopropylpiperazin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[[3-(fluoromethyl)piperazin-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[[3-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide);4-(4-fluorophenyl)-7-[(3-propan-2-ylpiperazin-1-yl)methyl]quinoline-2-carboxamide

C116H118F12N20O5 — CID 158562018

IUPAC7-[(3-cyclopropylpiperazin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[[3-(fluoromethyl)piperazin-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[[3-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide);4-(4-fluorophenyl)-7-[(3-propan-2-ylpiperazin-1-yl)methyl]quinoline-2-carboxamide
SMILESCC(C)C1CN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CCN1.CC1CN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CC(C(F)(F)F)N1.CC1CN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CC(C(F)(F)F)N1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNC(C4CC4)C3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNC(CF)C3)cc2n1
InChIInChI=1S/C24H25FN4O.C24H27FN4O.2C23H22F4N4O.C22H22F2N4O/c25-18-6-4-16(5-7-18)20-12-22(24(26)30)28-21-11-15(1-8-19(20)21)13-29-10-9-27-23(14-29)17-2-3-17;1-15(2)23-14-29(10-9-27-23)13-16-3-8-19-20(17-4-6-18(25)7-5-17)12-22(24(26)30)28-21(19)11-16;2*1-13-10-31(12-21(29-13)23(25,26)27)11-14-2-7-17-18(15-3-5-16(24)6-4-15)9-20(22(28)32)30-19(17)8-14;23-11-17-13-28(8-7-26-17)12-14-1-6-18-19(15-2-4-16(24)5-3-15)10-21(22(25)29)27-20(18)9-14/h1,4-8,11-12,17,23,27H,2-3,9-10,13-14H2,(H2,26,30);3-8,11-12,15,23,27H,9-10,13-14H2,1-2H3,(H2,26,30);2*2-9,13,21,29H,10-12H2,1H3,(H2,28,32);1-6,9-10,17,26H,7-8,11-13H2,(H2,25,29)
InChIKeyHQZRWCNQZMHRKM-UHFFFAOYSA-N
MW2100.33 g/mol
LogP17.51
Rot. Bonds23

About 7-[(3-cyclopropylpiperazin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[[3-(fluoromethyl)piperazin-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[[3-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide);4-(4-fluorophenyl)-7-[(3-propan-2-ylpiperazin-1-yl)methyl]quinoline-2-carboxamide

7-[(3-cyclopropylpiperazin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[[3-(fluoromethyl)piperazin-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[[3-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide);4-(4-fluorophenyl)-7-[(3-propan-2-ylpiperazin-1-yl)methyl]quinoline-2-carboxamide (PubChem CID 158562018) has the molecular formula C116H118F12N20O5 and a molecular weight of 2100.33 g/mol. Its IUPAC name is 7-[(3-cyclopropylpiperazin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[[3-(fluoromethyl)piperazin-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[[3-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide);4-(4-fluorophenyl)-7-[(3-propan-2-ylpiperazin-1-yl)methyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name7-[(3-cyclopropylpiperazin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[[3-(fluoromethyl)piperazin-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[[3-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide);4-(4-fluorophenyl)-7-[(3-propan-2-ylpiperazin-1-yl)methyl]quinoline-2-carboxamide
PubChem CID158562018
Molecular FormulaC116H118F12N20O5
Molecular Weight2100.33 g/mol
Exact Mass2098.94
IUPAC Name7-[(3-cyclopropylpiperazin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[[3-(fluoromethyl)piperazin-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[[3-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide);4-(4-fluorophenyl)-7-[(3-propan-2-ylpiperazin-1-yl)methyl]quinoline-2-carboxamide
SMILESCC(C)C1CN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CCN1.CC1CN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CC(C(F)(F)F)N1.CC1CN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CC(C(F)(F)F)N1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNC(C4CC4)C3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNC(CF)C3)cc2n1
InChIInChI=1S/C24H25FN4O.C24H27FN4O.2C23H22F4N4O.C22H22F2N4O/c25-18-6-4-16(5-7-18)20-12-22(24(26)30)28-21-11-15(1-8-19(20)21)13-29-10-9-27-23(14-29)17-2-3-17;1-15(2)23-14-29(10-9-27-23)13-16-3-8-19-20(17-4-6-18(25)7-5-17)12-22(24(26)30)28-21(19)11-16;2*1-13-10-31(12-21(29-13)23(25,26)27)11-14-2-7-17-18(15-3-5-16(24)6-4-15)9-20(22(28)32)30-19(17)8-14;23-11-17-13-28(8-7-26-17)12-14-1-6-18-19(15-2-4-16(24)5-3-15)10-21(22(25)29)27-20(18)9-14/h1,4-8,11-12,17,23,27H,2-3,9-10,13-14H2,(H2,26,30);3-8,11-12,15,23,27H,9-10,13-14H2,1-2H3,(H2,26,30);2*2-9,13,21,29H,10-12H2,1H3,(H2,28,32);1-6,9-10,17,26H,7-8,11-13H2,(H2,25,29)
InChIKeyHQZRWCNQZMHRKM-UHFFFAOYSA-N
XLogP17.51
TPSA356.25 Ų
H-Bond Donors10
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002100.33
LogP ≤ 517.51
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1020

Analyze 7-[(3-cyclopropylpiperazin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[[3-(fluoromethyl)piperazin-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[[3-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide);4-(4-fluorophenyl)-7-[(3-propan-2-ylpiperazin-1-yl)methyl]quinoline-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-cyclopropylpiperazin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[[3-(fluoromethyl)piperazin-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[[3-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide);4-(4-fluorophenyl)-7-[(3-propan-2-ylpiperazin-1-yl)methyl]quinoline-2-carboxamide?
The IUPAC name of 7-[(3-cyclopropylpiperazin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[[3-(fluoromethyl)piperazin-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[[3-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide);4-(4-fluorophenyl)-7-[(3-propan-2-ylpiperazin-1-yl)methyl]quinoline-2-carboxamide (CID 158562018) is 7-[(3-cyclopropylpiperazin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[[3-(fluoromethyl)piperazin-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[[3-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide);4-(4-fluorophenyl)-7-[(3-propan-2-ylpiperazin-1-yl)methyl]quinoline-2-carboxamide.
What is the SMILES notation for 7-[(3-cyclopropylpiperazin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[[3-(fluoromethyl)piperazin-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[[3-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide);4-(4-fluorophenyl)-7-[(3-propan-2-ylpiperazin-1-yl)methyl]quinoline-2-carboxamide?
The canonical SMILES for 7-[(3-cyclopropylpiperazin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[[3-(fluoromethyl)piperazin-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[[3-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide);4-(4-fluorophenyl)-7-[(3-propan-2-ylpiperazin-1-yl)methyl]quinoline-2-carboxamide is CC(C)C1CN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CCN1.CC1CN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CC(C(F)(F)F)N1.CC1CN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CC(C(F)(F)F)N1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNC(C4CC4)C3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNC(CF)C3)cc2n1.
What is the InChIKey of 7-[(3-cyclopropylpiperazin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[[3-(fluoromethyl)piperazin-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[[3-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide);4-(4-fluorophenyl)-7-[(3-propan-2-ylpiperazin-1-yl)methyl]quinoline-2-carboxamide?
The InChIKey is HQZRWCNQZMHRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O.C24H27FN4O.2C23H22F4N4O.C22H22F2N4O/c25-18-6-4-16(5-7-18)20-12-22(24(26)30)28-21-11-15(1-8-19(20)21)13-29-10-9-27-23(14-29)17-2-3-17;1-15(2)23-14-29(10-9-27-23)13-16-3-8-19-20(17-4-6-18(25)7-5-17)12-22(24(26)30)28-21(19)11-16;2*1-13-10-31(12-21(29-13)23(25,26)27)11-14-2-7-17-18(15-3-5-16(24)6-4-15)9-20(22(28)32)30-19(17)8-14;23-11-17-13-28(8-7-26-17)12-14-1-6-18-19(15-2-4-16(24)5-3-15)10-21(22(25)29)27-20(18)9-14/h1,4-8,11-12,17,23,27H,2-3,9-10,13-14H2,(H2,26,30);3-8,11-12,15,23,27H,9-10,13-14H2,1-2H3,(H2,26,30);2*2-9,13,21,29H,10-12H2,1H3,(H2,28,32);1-6,9-10,17,26H,7-8,11-13H2,(H2,25,29).
What are the key properties of 7-[(3-cyclopropylpiperazin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[[3-(fluoromethyl)piperazin-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[[3-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide);4-(4-fluorophenyl)-7-[(3-propan-2-ylpiperazin-1-yl)methyl]quinoline-2-carboxamide?
7-[(3-cyclopropylpiperazin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[[3-(fluoromethyl)piperazin-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[[3-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide);4-(4-fluorophenyl)-7-[(3-propan-2-ylpiperazin-1-yl)methyl]quinoline-2-carboxamide has a molecular weight of 2100.33 g/mol, XLogP of 17.51, 23 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-cyclopropylpiperazin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[[3-(fluoromethyl)piperazin-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[[3-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide);4-(4-fluorophenyl)-7-[(3-propan-2-ylpiperazin-1-yl)methyl]quinoline-2-carboxamide is sourced from PubChem (CID 158562018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).