2-(4-chlorophenyl)-3-methyl-N,N-di(propan-2-yl)quinoline-4-carboxamide

C23H25ClN2O — CID 3508293

IUPAC2-(4-chlorophenyl)-3-methyl-N,N-di(propan-2-yl)quinoline-4-carboxamide
SMILESCc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C23H25ClN2O/c1-14(2)26(15(3)4)23(27)21-16(5)22(17-10-12-18(24)13-11-17)25-20-9-7-6-8-19(20)21/h6-15H,1-5H3
InChIKeyVGPIVUMQTYMEMT-UHFFFAOYSA-N
MW380.92 g/mol
LogP6.12
Rot. Bonds4

About 2-(4-chlorophenyl)-3-methyl-N,N-di(propan-2-yl)quinoline-4-carboxamide

2-(4-chlorophenyl)-3-methyl-N,N-di(propan-2-yl)quinoline-4-carboxamide (PubChem CID 3508293) has the molecular formula C23H25ClN2O and a molecular weight of 380.92 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-methyl-N,N-di(propan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-methyl-N,N-di(propan-2-yl)quinoline-4-carboxamide
PubChem CID3508293
Molecular FormulaC23H25ClN2O
Molecular Weight380.92 g/mol
Exact Mass380.17
IUPAC Name2-(4-chlorophenyl)-3-methyl-N,N-di(propan-2-yl)quinoline-4-carboxamide
SMILESCc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C23H25ClN2O/c1-14(2)26(15(3)4)23(27)21-16(5)22(17-10-12-18(24)13-11-17)25-20-9-7-6-8-19(20)21/h6-15H,1-5H3
InChIKeyVGPIVUMQTYMEMT-UHFFFAOYSA-N
XLogP6.12
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.92
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-methyl-N,N-di(propan-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-3-methyl-N,N-di(propan-2-yl)quinoline-4-carboxamide (CID 3508293) is 2-(4-chlorophenyl)-3-methyl-N,N-di(propan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-3-methyl-N,N-di(propan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-3-methyl-N,N-di(propan-2-yl)quinoline-4-carboxamide is Cc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)N(C(C)C)C(C)C.
What is the InChIKey of 2-(4-chlorophenyl)-3-methyl-N,N-di(propan-2-yl)quinoline-4-carboxamide?
The InChIKey is VGPIVUMQTYMEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O/c1-14(2)26(15(3)4)23(27)21-16(5)22(17-10-12-18(24)13-11-17)25-20-9-7-6-8-19(20)21/h6-15H,1-5H3.
What are the key properties of 2-(4-chlorophenyl)-3-methyl-N,N-di(propan-2-yl)quinoline-4-carboxamide?
2-(4-chlorophenyl)-3-methyl-N,N-di(propan-2-yl)quinoline-4-carboxamide has a molecular weight of 380.92 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-methyl-N,N-di(propan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 3508293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).