3-[cyclopropyl(methyl)amino]-2-phenylquinoline-6-carboxylic acid

C20H18N2O2 — CID 141344770

IUPAC3-[cyclopropyl(methyl)amino]-2-phenylquinoline-6-carboxylic acid
SMILESCN(c1cc2cc(C(=O)O)ccc2nc1-c1ccccc1)C1CC1
InChIInChI=1S/C20H18N2O2/c1-22(16-8-9-16)18-12-15-11-14(20(23)24)7-10-17(15)21-19(18)13-5-3-2-4-6-13/h2-7,10-12,16H,8-9H2,1H3,(H,23,24)
InChIKeyWQXJAKFREGFYMS-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.20
Rot. Bonds4

About 3-[cyclopropyl(methyl)amino]-2-phenylquinoline-6-carboxylic acid

3-[cyclopropyl(methyl)amino]-2-phenylquinoline-6-carboxylic acid (PubChem CID 141344770) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-[cyclopropyl(methyl)amino]-2-phenylquinoline-6-carboxylic acid.

Molecular Properties

Compound Name3-[cyclopropyl(methyl)amino]-2-phenylquinoline-6-carboxylic acid
PubChem CID141344770
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name3-[cyclopropyl(methyl)amino]-2-phenylquinoline-6-carboxylic acid
SMILESCN(c1cc2cc(C(=O)O)ccc2nc1-c1ccccc1)C1CC1
InChIInChI=1S/C20H18N2O2/c1-22(16-8-9-16)18-12-15-11-14(20(23)24)7-10-17(15)21-19(18)13-5-3-2-4-6-13/h2-7,10-12,16H,8-9H2,1H3,(H,23,24)
InChIKeyWQXJAKFREGFYMS-UHFFFAOYSA-N
XLogP4.20
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl(methyl)amino]-2-(2-methyl-1H-indol-5-yl)quinoline-6-carboxylic acid
CID 141448054
methyl 3-[cyclopentyl(methyl)amino]-2-(4-fluorophenyl)quinoline-6-carboxylate
CID 141344743
2-(2H-benzotriazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid
CID 141344712
2-(6-amino-3-pyridinyl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid
CID 141344901
2-[3-[cyclopropyl(methyl)amino]phenyl]quinoxaline-6-carboxylic acid
CID 175276154
3-(2-methyl-1,4-diazepin-1-yl)-2-phenylquinoline-6-carboxylic acid
CID 141344383
3-(4-methylphenyl)-2-phenylquinoxaline-6-carboxylic acid
CID 90115939
N,N-diethyl-2-(4-fluorophenyl)quinolin-3-amine;quinoline-6-carboxylic acid
CID 174794508
2-(benzimidazol-1-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid
CID 141344546
3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoline-6-carboxylic acid
CID 141344774
2-(1H-indazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid
CID 141344445
3-[4-(4-chlorophenyl)piperidin-1-yl]-2-phenylquinoline-6-carboxylic acid
CID 141344848

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(methyl)amino]-2-phenylquinoline-6-carboxylic acid?
The IUPAC name of 3-[cyclopropyl(methyl)amino]-2-phenylquinoline-6-carboxylic acid (CID 141344770) is 3-[cyclopropyl(methyl)amino]-2-phenylquinoline-6-carboxylic acid.
What is the SMILES notation for 3-[cyclopropyl(methyl)amino]-2-phenylquinoline-6-carboxylic acid?
The canonical SMILES for 3-[cyclopropyl(methyl)amino]-2-phenylquinoline-6-carboxylic acid is CN(c1cc2cc(C(=O)O)ccc2nc1-c1ccccc1)C1CC1.
What is the InChIKey of 3-[cyclopropyl(methyl)amino]-2-phenylquinoline-6-carboxylic acid?
The InChIKey is WQXJAKFREGFYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-22(16-8-9-16)18-12-15-11-14(20(23)24)7-10-17(15)21-19(18)13-5-3-2-4-6-13/h2-7,10-12,16H,8-9H2,1H3,(H,23,24).
What are the key properties of 3-[cyclopropyl(methyl)amino]-2-phenylquinoline-6-carboxylic acid?
3-[cyclopropyl(methyl)amino]-2-phenylquinoline-6-carboxylic acid has a molecular weight of 318.38 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(methyl)amino]-2-phenylquinoline-6-carboxylic acid is sourced from PubChem (CID 141344770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).