2-amino-5-ethyl-4-phenylquinoline-3-carboxylic acid

C18H16N2O2 — CID 69016709

IUPAC2-amino-5-ethyl-4-phenylquinoline-3-carboxylic acid
SMILESCCc1cccc2nc(N)c(C(=O)O)c(-c3ccccc3)c12
InChIInChI=1S/C18H16N2O2/c1-2-11-9-6-10-13-14(11)15(12-7-4-3-5-8-12)16(18(21)22)17(19)20-13/h3-10H,2H2,1H3,(H2,19,20)(H,21,22)
InChIKeyGAYMKLAPKQUAIJ-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.74
Rot. Bonds3

About 2-amino-5-ethyl-4-phenylquinoline-3-carboxylic acid

2-amino-5-ethyl-4-phenylquinoline-3-carboxylic acid (PubChem CID 69016709) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-amino-5-ethyl-4-phenylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-ethyl-4-phenylquinoline-3-carboxylic acid
PubChem CID69016709
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-amino-5-ethyl-4-phenylquinoline-3-carboxylic acid
SMILESCCc1cccc2nc(N)c(C(=O)O)c(-c3ccccc3)c12
InChIInChI=1S/C18H16N2O2/c1-2-11-9-6-10-13-14(11)15(12-7-4-3-5-8-12)16(18(21)22)17(19)20-13/h3-10H,2H2,1H3,(H2,19,20)(H,21,22)
InChIKeyGAYMKLAPKQUAIJ-UHFFFAOYSA-N
XLogP3.74
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-(2-ethylphenyl)quinoline-3-carboxylic acid
CID 69016708
2-amino-4-(2-propoxycarbonylphenyl)quinoline-3-carboxylic acid
CID 66786892
ethyl 5-chloro-2-(2-oxopyrrolidin-1-yl)-4-phenylquinoline-3-carboxylate
CID 150683426
2-(2,6-diethylphenyl)quinazolin-4-amine
CID 170413291
2,6-diethylbenzoic acid;molecular nitrogen
CID 70486014
4-bromo-3-chloro-5-ethylquinoline-2-carboxylic acid
CID 172686149
5-ethyl-4-methoxy-2-phenylquinoline
CID 10400536
4-ethyl-2-phenyl-1H-indole-3-carboxamide
CID 71082978
5-ethylquinolin-2-amine
CID 59551845
3-amino-9-oxo-1-phenylindeno[2,1-c]pyridine-4-carboxylic acid
CID 11631073
4-phenylquinoline-2,3-dicarboxylic acid
CID 23469806
acetic acid;1-ethyl-2-phenylbenzene
CID 67681814

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-ethyl-4-phenylquinoline-3-carboxylic acid?
The IUPAC name of 2-amino-5-ethyl-4-phenylquinoline-3-carboxylic acid (CID 69016709) is 2-amino-5-ethyl-4-phenylquinoline-3-carboxylic acid.
What is the SMILES notation for 2-amino-5-ethyl-4-phenylquinoline-3-carboxylic acid?
The canonical SMILES for 2-amino-5-ethyl-4-phenylquinoline-3-carboxylic acid is CCc1cccc2nc(N)c(C(=O)O)c(-c3ccccc3)c12.
What is the InChIKey of 2-amino-5-ethyl-4-phenylquinoline-3-carboxylic acid?
The InChIKey is GAYMKLAPKQUAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-2-11-9-6-10-13-14(11)15(12-7-4-3-5-8-12)16(18(21)22)17(19)20-13/h3-10H,2H2,1H3,(H2,19,20)(H,21,22).
What are the key properties of 2-amino-5-ethyl-4-phenylquinoline-3-carboxylic acid?
2-amino-5-ethyl-4-phenylquinoline-3-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-ethyl-4-phenylquinoline-3-carboxylic acid is sourced from PubChem (CID 69016709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).