2-[[3-(4-chlorophenyl)-1,8-naphthyridin-2-yl]amino]-3-phenylpropanoic acid

C23H18ClN3O2 — CID 11729142

IUPAC2-[[3-(4-chlorophenyl)-1,8-naphthyridin-2-yl]amino]-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)Nc1nc2ncccc2cc1-c1ccc(Cl)cc1
InChIInChI=1S/C23H18ClN3O2/c24-18-10-8-16(9-11-18)19-14-17-7-4-12-25-21(17)27-22(19)26-20(23(28)29)13-15-5-2-1-3-6-15/h1-12,14,20H,13H2,(H,28,29)(H,25,26,27)
InChIKeyMUTZXQJGDORHBT-UHFFFAOYSA-N
MW403.87 g/mol
LogP5.06
Rot. Bonds6

About 2-[[3-(4-chlorophenyl)-1,8-naphthyridin-2-yl]amino]-3-phenylpropanoic acid

2-[[3-(4-chlorophenyl)-1,8-naphthyridin-2-yl]amino]-3-phenylpropanoic acid (PubChem CID 11729142) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is 2-[[3-(4-chlorophenyl)-1,8-naphthyridin-2-yl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[[3-(4-chlorophenyl)-1,8-naphthyridin-2-yl]amino]-3-phenylpropanoic acid
PubChem CID11729142
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC Name2-[[3-(4-chlorophenyl)-1,8-naphthyridin-2-yl]amino]-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)Nc1nc2ncccc2cc1-c1ccc(Cl)cc1
InChIInChI=1S/C23H18ClN3O2/c24-18-10-8-16(9-11-18)19-14-17-7-4-12-25-21(17)27-22(19)26-20(23(28)29)13-15-5-2-1-3-6-15/h1-12,14,20H,13H2,(H,28,29)(H,25,26,27)
InChIKeyMUTZXQJGDORHBT-UHFFFAOYSA-N
XLogP5.06
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.87
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-3-phenylpropanoic acid
CID 3924701
2-[[4,6-bis[(1-carboxy-2-phenylethyl)amino]-1,3,5-triazin-2-yl]amino]-3-phenylpropanoic acid
CID 90051144
2-[[(1R)-1-carboxy-2-phenylethyl]amino]-6-chloroquinoline-3-carboxylic acid
CID 45256876
2-[[(1S)-1-carboxy-2-(4-phenylmethoxyphenyl)ethyl]amino]-6-chloroquinoline-3-carboxylic acid
CID 45254373
2-[[1-carboxy-2-[4-[(3-carboxy-2-pyridinyl)oxy]phenyl]ethyl]amino]-6-chloroquinoline-3-carboxylic acid
CID 68631565
(2S)-2-[1-(4-chlorophenyl)propan-2-ylamino]-3-phenylpropanoic acid
CID 122037636
(2S)-3-(4-aminophenyl)-2-[(3-chloropyrazin-2-yl)amino]propanoic acid
CID 91566398
2-[(1-carboxy-2-phenylethyl)amino]-6-chloro-8-methylquinoline-3-carboxylic acid
CID 67358158
2-[(3-cyanocyclohepta[b]pyrrol-2-yl)amino]-3-phenylpropanoic acid
CID 10335962
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-(4-chlorophenyl)propanoic acid
CID 175869880
(2S)-2-[[4-[[3-[[[4,6-bis[[(1S)-1-carboxy-2-phenylethyl]amino]-1,3,5-triazin-2-yl]amino]methyl]phenyl]methylamino]-6-[[(1S)-1-carboxy-2-phenylethyl]amino]-1,3,5-triazin-2-yl]amino]-3-phenylpropanoic acid
CID 53391728
(2S)-2-[[5-(3-chloro-4-fluorophenyl)pyridine-2-carbonyl]amino]-3-(4-phenylphenyl)propanoic acid
CID 58718071

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-chlorophenyl)-1,8-naphthyridin-2-yl]amino]-3-phenylpropanoic acid?
The IUPAC name of 2-[[3-(4-chlorophenyl)-1,8-naphthyridin-2-yl]amino]-3-phenylpropanoic acid (CID 11729142) is 2-[[3-(4-chlorophenyl)-1,8-naphthyridin-2-yl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[[3-(4-chlorophenyl)-1,8-naphthyridin-2-yl]amino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[[3-(4-chlorophenyl)-1,8-naphthyridin-2-yl]amino]-3-phenylpropanoic acid is O=C(O)C(Cc1ccccc1)Nc1nc2ncccc2cc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[[3-(4-chlorophenyl)-1,8-naphthyridin-2-yl]amino]-3-phenylpropanoic acid?
The InChIKey is MUTZXQJGDORHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c24-18-10-8-16(9-11-18)19-14-17-7-4-12-25-21(17)27-22(19)26-20(23(28)29)13-15-5-2-1-3-6-15/h1-12,14,20H,13H2,(H,28,29)(H,25,26,27).
What are the key properties of 2-[[3-(4-chlorophenyl)-1,8-naphthyridin-2-yl]amino]-3-phenylpropanoic acid?
2-[[3-(4-chlorophenyl)-1,8-naphthyridin-2-yl]amino]-3-phenylpropanoic acid has a molecular weight of 403.87 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-chlorophenyl)-1,8-naphthyridin-2-yl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 11729142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).