2-[[2-(4-chlorophenyl)-5-hydroxy-8-methyl-1,7-naphthyridine-6-carbonyl]amino]acetic acid

C18H14ClN3O4 — CID 137317616

IUPAC2-[[2-(4-chlorophenyl)-5-hydroxy-8-methyl-1,7-naphthyridine-6-carbonyl]amino]acetic acid
SMILESCc1nc(C(=O)NCC(=O)O)c(O)c2ccc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C18H14ClN3O4/c1-9-15-12(17(25)16(21-9)18(26)20-8-14(23)24)6-7-13(22-15)10-2-4-11(19)5-3-10/h2-7,25H,8H2,1H3,(H,20,26)(H,23,24)
InChIKeyYBMIOUPZZDBCES-UHFFFAOYSA-N
MW371.78 g/mol
LogP2.78
Rot. Bonds4

About 2-[[2-(4-chlorophenyl)-5-hydroxy-8-methyl-1,7-naphthyridine-6-carbonyl]amino]acetic acid

2-[[2-(4-chlorophenyl)-5-hydroxy-8-methyl-1,7-naphthyridine-6-carbonyl]amino]acetic acid (PubChem CID 137317616) has the molecular formula C18H14ClN3O4 and a molecular weight of 371.78 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)-5-hydroxy-8-methyl-1,7-naphthyridine-6-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)-5-hydroxy-8-methyl-1,7-naphthyridine-6-carbonyl]amino]acetic acid
PubChem CID137317616
Molecular FormulaC18H14ClN3O4
Molecular Weight371.78 g/mol
Exact Mass371.07
IUPAC Name2-[[2-(4-chlorophenyl)-5-hydroxy-8-methyl-1,7-naphthyridine-6-carbonyl]amino]acetic acid
SMILESCc1nc(C(=O)NCC(=O)O)c(O)c2ccc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C18H14ClN3O4/c1-9-15-12(17(25)16(21-9)18(26)20-8-14(23)24)6-7-13(22-15)10-2-4-11(19)5-3-10/h2-7,25H,8H2,1H3,(H,20,26)(H,23,24)
InChIKeyYBMIOUPZZDBCES-UHFFFAOYSA-N
XLogP2.78
TPSA112.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.78
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(4-chlorophenyl)-5-hydroxy-8-methyl-1,7-naphthyridine-6-carbonyl]amino]acetic acid with MolForge

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Related Compounds

2-[[7-(4-chlorophenoxy)-4-hydroxy-1-methylisoquinoline-3-carbonyl]amino]acetic acid
CID 11165097
methyl 5-hydroxy-8-methyl-2-phenyl-1,7-naphthyridine-6-carboxylate
CID 140866878
2-[(7-chloro-1-cyano-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid
CID 24780124
2-[[4-(5-chloro-2-pyridinyl)benzoyl]amino]acetic acid
CID 169198581
2-[[1-(4-chlorophenyl)sulfanyl-4-hydroxyisoquinoline-3-carbonyl]amino]acetic acid;2-[(4-hydroxy-1-phenylsulfanylisoquinoline-3-carbonyl)amino]acetic acid
CID 69176268
2-[(1-bromo-4-hydroxy-7-methylisoquinoline-3-carbonyl)amino]acetic acid
CID 86014537
6-(4-chlorophenyl)-2-methylpyridine-3-carbohydrazide
CID 53433276
2-[[1-chloro-4-hydroxy-7-(4-methoxyphenoxy)isoquinoline-3-carbonyl]amino]acetic acid
CID 11177126
2-[[1-chloro-4-hydroxy-6-(4-methoxyphenoxy)isoquinoline-3-carbonyl]amino]acetic acid
CID 11429571
methyl 5,8-dimethyl-2-phenyl-1,7-naphthyridine-6-carboxylate
CID 177153656
2-[[4-hydroxy-7-methyl-2-(4-phenoxyphenyl)thieno[2,3-c]pyridine-5-carbonyl]amino]acetic acid
CID 11844978
1-[6-(4-chlorophenyl)-2-methyl-3-pyridinyl]ethanone
CID 11043024

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)-5-hydroxy-8-methyl-1,7-naphthyridine-6-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[2-(4-chlorophenyl)-5-hydroxy-8-methyl-1,7-naphthyridine-6-carbonyl]amino]acetic acid (CID 137317616) is 2-[[2-(4-chlorophenyl)-5-hydroxy-8-methyl-1,7-naphthyridine-6-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)-5-hydroxy-8-methyl-1,7-naphthyridine-6-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(4-chlorophenyl)-5-hydroxy-8-methyl-1,7-naphthyridine-6-carbonyl]amino]acetic acid is Cc1nc(C(=O)NCC(=O)O)c(O)c2ccc(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 2-[[2-(4-chlorophenyl)-5-hydroxy-8-methyl-1,7-naphthyridine-6-carbonyl]amino]acetic acid?
The InChIKey is YBMIOUPZZDBCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O4/c1-9-15-12(17(25)16(21-9)18(26)20-8-14(23)24)6-7-13(22-15)10-2-4-11(19)5-3-10/h2-7,25H,8H2,1H3,(H,20,26)(H,23,24).
What are the key properties of 2-[[2-(4-chlorophenyl)-5-hydroxy-8-methyl-1,7-naphthyridine-6-carbonyl]amino]acetic acid?
2-[[2-(4-chlorophenyl)-5-hydroxy-8-methyl-1,7-naphthyridine-6-carbonyl]amino]acetic acid has a molecular weight of 371.78 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)-5-hydroxy-8-methyl-1,7-naphthyridine-6-carbonyl]amino]acetic acid is sourced from PubChem (CID 137317616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).