4-amino-2-(2-ethylphenyl)quinoline-3-carboxylic acid

C18H16N2O2 — CID 69016708

IUPAC4-amino-2-(2-ethylphenyl)quinoline-3-carboxylic acid
SMILESCCc1ccccc1-c1nc2ccccc2c(N)c1C(=O)O
InChIInChI=1S/C18H16N2O2/c1-2-11-7-3-4-8-12(11)17-15(18(21)22)16(19)13-9-5-6-10-14(13)20-17/h3-10H,2H2,1H3,(H2,19,20)(H,21,22)
InChIKeyONSAHEVDNVGLSZ-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.74
Rot. Bonds3

About 4-amino-2-(2-ethylphenyl)quinoline-3-carboxylic acid

4-amino-2-(2-ethylphenyl)quinoline-3-carboxylic acid (PubChem CID 69016708) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-amino-2-(2-ethylphenyl)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-(2-ethylphenyl)quinoline-3-carboxylic acid
PubChem CID69016708
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name4-amino-2-(2-ethylphenyl)quinoline-3-carboxylic acid
SMILESCCc1ccccc1-c1nc2ccccc2c(N)c1C(=O)O
InChIInChI=1S/C18H16N2O2/c1-2-11-7-3-4-8-12(11)17-15(18(21)22)16(19)13-9-5-6-10-14(13)20-17/h3-10H,2H2,1H3,(H2,19,20)(H,21,22)
InChIKeyONSAHEVDNVGLSZ-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

2-(4-ethyl-3-methylquinolin-2-yl)aniline
CID 134843455
2-phenylquinoline-3,4-dicarboxylic acid
CID 71341092
2-amino-5-ethyl-4-phenylquinoline-3-carboxylic acid
CID 69016709
3-(methylsulfonylmethyl)-2-phenylquinoline-4-carboxylic acid
CID 59799728
benzo[b]phenazine-6,11-dicarboxylic acid
CID 154692279
acetic acid;1-ethyl-2-phenylbenzene
CID 67681814
benzoic acid;1-ethyl-2-phenylbenzene
CID 66846233
3-amino-2-phenylquinoline-4-carboxamide
CID 140977990
4-ethylquinoline-2-carboxamide
CID 174714299
4-amino-2-(1-hydroxycyclohexyl)quinoline-3-carboxylic acid
CID 129104476
2-(3-ethyl-2-phenylquinolin-4-yl)acetic acid
CID 21283577
ethyl 4-amino-2-cyclopropylquinoline-3-carboxylate
CID 174944761

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-ethylphenyl)quinoline-3-carboxylic acid?
The IUPAC name of 4-amino-2-(2-ethylphenyl)quinoline-3-carboxylic acid (CID 69016708) is 4-amino-2-(2-ethylphenyl)quinoline-3-carboxylic acid.
What is the SMILES notation for 4-amino-2-(2-ethylphenyl)quinoline-3-carboxylic acid?
The canonical SMILES for 4-amino-2-(2-ethylphenyl)quinoline-3-carboxylic acid is CCc1ccccc1-c1nc2ccccc2c(N)c1C(=O)O.
What is the InChIKey of 4-amino-2-(2-ethylphenyl)quinoline-3-carboxylic acid?
The InChIKey is ONSAHEVDNVGLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-2-11-7-3-4-8-12(11)17-15(18(21)22)16(19)13-9-5-6-10-14(13)20-17/h3-10H,2H2,1H3,(H2,19,20)(H,21,22).
What are the key properties of 4-amino-2-(2-ethylphenyl)quinoline-3-carboxylic acid?
4-amino-2-(2-ethylphenyl)quinoline-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 4-amino-2-(2-ethylphenyl)quinoline-3-carboxylic acid is sourced from PubChem (CID 69016708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).