2-[(1-carboxy-2-phenylethyl)amino]-6-chloro-8-methylquinoline-3-carboxylic acid

C20H17ClN2O4 — CID 67358158

IUPAC2-[(1-carboxy-2-phenylethyl)amino]-6-chloro-8-methylquinoline-3-carboxylic acid
SMILESCc1cc(Cl)cc2cc(C(=O)O)c(NC(Cc3ccccc3)C(=O)O)nc12
InChIInChI=1S/C20H17ClN2O4/c1-11-7-14(21)9-13-10-15(19(24)25)18(23-17(11)13)22-16(20(26)27)8-12-5-3-2-4-6-12/h2-7,9-10,16H,8H2,1H3,(H,22,23)(H,24,25)(H,26,27)
InChIKeyFONDLRQIVRSOGG-UHFFFAOYSA-N
MW384.82 g/mol
LogP4.00
Rot. Bonds6

About 2-[(1-carboxy-2-phenylethyl)amino]-6-chloro-8-methylquinoline-3-carboxylic acid

2-[(1-carboxy-2-phenylethyl)amino]-6-chloro-8-methylquinoline-3-carboxylic acid (PubChem CID 67358158) has the molecular formula C20H17ClN2O4 and a molecular weight of 384.82 g/mol. Its IUPAC name is 2-[(1-carboxy-2-phenylethyl)amino]-6-chloro-8-methylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-[(1-carboxy-2-phenylethyl)amino]-6-chloro-8-methylquinoline-3-carboxylic acid
PubChem CID67358158
Molecular FormulaC20H17ClN2O4
Molecular Weight384.82 g/mol
Exact Mass384.09
IUPAC Name2-[(1-carboxy-2-phenylethyl)amino]-6-chloro-8-methylquinoline-3-carboxylic acid
SMILESCc1cc(Cl)cc2cc(C(=O)O)c(NC(Cc3ccccc3)C(=O)O)nc12
InChIInChI=1S/C20H17ClN2O4/c1-11-7-14(21)9-13-10-15(19(24)25)18(23-17(11)13)22-16(20(26)27)8-12-5-3-2-4-6-12/h2-7,9-10,16H,8H2,1H3,(H,22,23)(H,24,25)(H,26,27)
InChIKeyFONDLRQIVRSOGG-UHFFFAOYSA-N
XLogP4.00
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(1-carboxy-2-phenylethyl)amino]-6-chloro-8-methylquinoline-3-carboxylic acid with MolForge

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Related Compounds

2-[[(1R)-1-carboxy-2-phenylethyl]amino]-6-chloroquinoline-3-carboxylic acid
CID 45256876
2-[[1-carboxy-2-[3-[2-carboxy-2-[(3-carboxy-6-chloroquinolin-2-yl)amino]ethyl]phenyl]ethyl]amino]-6-chloroquinoline-3-carboxylic acid
CID 45255965
2-[[(1S)-1-carboxy-2-(4-phenylmethoxyphenyl)ethyl]amino]-6-chloroquinoline-3-carboxylic acid
CID 45254373
2-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-6-chloroquinoline-3-carboxylic acid
CID 67357599
2-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-6-chloroquinoline-3-carboxylic acid
CID 45254559
2-[[1-carboxy-2-(3-fluorophenyl)ethyl]amino]-6-chloroquinoline-3-carboxylic acid
CID 45256347
2-[[(1S)-1-carboxy-2-(3-chloro-4-hydroxyphenyl)ethyl]amino]-6-chloroquinoline-3-carboxylic acid
CID 45255158
(2S)-2-[(2-chloro-5-ethoxycarbonylpyrimidin-4-yl)amino]-3-phenylpropanoic acid
CID 90837125
2-[[1-carboxy-2-[4-(6-chloroquinolin-2-yl)oxyphenyl]ethyl]amino]-6-chloroquinoline-3-carboxylic acid
CID 67377073
2-[[1-carboxy-2-[4-[(3-carboxy-2-pyridinyl)oxy]phenyl]ethyl]amino]-6-chloroquinoline-3-carboxylic acid
CID 68631565
2-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-6-chloroquinoline-3-carboxylic acid
CID 67359553
2-[[(1S)-1-carboxy-2-[4-(8-chloroquinolin-2-yl)oxyphenyl]ethyl]amino]-6-chloroquinoline-3-carboxylic acid
CID 67360129

Frequently Asked Questions

What is the IUPAC name of 2-[(1-carboxy-2-phenylethyl)amino]-6-chloro-8-methylquinoline-3-carboxylic acid?
The IUPAC name of 2-[(1-carboxy-2-phenylethyl)amino]-6-chloro-8-methylquinoline-3-carboxylic acid (CID 67358158) is 2-[(1-carboxy-2-phenylethyl)amino]-6-chloro-8-methylquinoline-3-carboxylic acid.
What is the SMILES notation for 2-[(1-carboxy-2-phenylethyl)amino]-6-chloro-8-methylquinoline-3-carboxylic acid?
The canonical SMILES for 2-[(1-carboxy-2-phenylethyl)amino]-6-chloro-8-methylquinoline-3-carboxylic acid is Cc1cc(Cl)cc2cc(C(=O)O)c(NC(Cc3ccccc3)C(=O)O)nc12.
What is the InChIKey of 2-[(1-carboxy-2-phenylethyl)amino]-6-chloro-8-methylquinoline-3-carboxylic acid?
The InChIKey is FONDLRQIVRSOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4/c1-11-7-14(21)9-13-10-15(19(24)25)18(23-17(11)13)22-16(20(26)27)8-12-5-3-2-4-6-12/h2-7,9-10,16H,8H2,1H3,(H,22,23)(H,24,25)(H,26,27).
What are the key properties of 2-[(1-carboxy-2-phenylethyl)amino]-6-chloro-8-methylquinoline-3-carboxylic acid?
2-[(1-carboxy-2-phenylethyl)amino]-6-chloro-8-methylquinoline-3-carboxylic acid has a molecular weight of 384.82 g/mol, XLogP of 4.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-carboxy-2-phenylethyl)amino]-6-chloro-8-methylquinoline-3-carboxylic acid is sourced from PubChem (CID 67358158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).