6-chloro-2-methyl-N-[(2S)-2-phenylpropyl]quinoline-5-carboxamide

C20H19ClN2O — CID 11772124

IUPAC6-chloro-2-methyl-N-[(2S)-2-phenylpropyl]quinoline-5-carboxamide
SMILESCc1ccc2c(C(=O)NC[C@@H](C)c3ccccc3)c(Cl)ccc2n1
InChIInChI=1S/C20H19ClN2O/c1-13(15-6-4-3-5-7-15)12-22-20(24)19-16-9-8-14(2)23-18(16)11-10-17(19)21/h3-11,13H,12H2,1-2H3,(H,22,24)/t13-/m1/s1
InChIKeyFKNRDGLGAVYQNE-CYBMUJFWSA-N
MW338.84 g/mol
LogP4.73
Rot. Bonds4

About 6-chloro-2-methyl-N-[(2S)-2-phenylpropyl]quinoline-5-carboxamide

6-chloro-2-methyl-N-[(2S)-2-phenylpropyl]quinoline-5-carboxamide (PubChem CID 11772124) has the molecular formula C20H19ClN2O and a molecular weight of 338.84 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-[(2S)-2-phenylpropyl]quinoline-5-carboxamide.

Molecular Properties

Compound Name6-chloro-2-methyl-N-[(2S)-2-phenylpropyl]quinoline-5-carboxamide
PubChem CID11772124
Molecular FormulaC20H19ClN2O
Molecular Weight338.84 g/mol
Exact Mass338.12
IUPAC Name6-chloro-2-methyl-N-[(2S)-2-phenylpropyl]quinoline-5-carboxamide
SMILESCc1ccc2c(C(=O)NC[C@@H](C)c3ccccc3)c(Cl)ccc2n1
InChIInChI=1S/C20H19ClN2O/c1-13(15-6-4-3-5-7-15)12-22-20(24)19-16-9-8-14(2)23-18(16)11-10-17(19)21/h3-11,13H,12H2,1-2H3,(H,22,24)/t13-/m1/s1
InChIKeyFKNRDGLGAVYQNE-CYBMUJFWSA-N
XLogP4.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-[(2S)-2-phenylpropyl]quinoline-5-carboxamide?
The IUPAC name of 6-chloro-2-methyl-N-[(2S)-2-phenylpropyl]quinoline-5-carboxamide (CID 11772124) is 6-chloro-2-methyl-N-[(2S)-2-phenylpropyl]quinoline-5-carboxamide.
What is the SMILES notation for 6-chloro-2-methyl-N-[(2S)-2-phenylpropyl]quinoline-5-carboxamide?
The canonical SMILES for 6-chloro-2-methyl-N-[(2S)-2-phenylpropyl]quinoline-5-carboxamide is Cc1ccc2c(C(=O)NC[C@@H](C)c3ccccc3)c(Cl)ccc2n1.
What is the InChIKey of 6-chloro-2-methyl-N-[(2S)-2-phenylpropyl]quinoline-5-carboxamide?
The InChIKey is FKNRDGLGAVYQNE-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H19ClN2O/c1-13(15-6-4-3-5-7-15)12-22-20(24)19-16-9-8-14(2)23-18(16)11-10-17(19)21/h3-11,13H,12H2,1-2H3,(H,22,24)/t13-/m1/s1.
What are the key properties of 6-chloro-2-methyl-N-[(2S)-2-phenylpropyl]quinoline-5-carboxamide?
6-chloro-2-methyl-N-[(2S)-2-phenylpropyl]quinoline-5-carboxamide has a molecular weight of 338.84 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-[(2S)-2-phenylpropyl]quinoline-5-carboxamide is sourced from PubChem (CID 11772124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).