2-(3-methoxy-11-oxopyrido[2,1-b]quinazolin-8-yl)acetic acid

C15H12N2O4 — CID 20525674

IUPAC2-(3-methoxy-11-oxopyrido[2,1-b]quinazolin-8-yl)acetic acid
SMILESCOc1ccc2c(=O)n3cc(CC(=O)O)ccc3nc2c1
InChIInChI=1S/C15H12N2O4/c1-21-10-3-4-11-12(7-10)16-13-5-2-9(6-14(18)19)8-17(13)15(11)20/h2-5,7-8H,6H2,1H3,(H,18,19)
InChIKeyKKFKJRIYUHOUMK-UHFFFAOYSA-N
MW284.27 g/mol
LogP1.48
Rot. Bonds3

About 2-(3-methoxy-11-oxopyrido[2,1-b]quinazolin-8-yl)acetic acid

2-(3-methoxy-11-oxopyrido[2,1-b]quinazolin-8-yl)acetic acid (PubChem CID 20525674) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 2-(3-methoxy-11-oxopyrido[2,1-b]quinazolin-8-yl)acetic acid.

Molecular Properties

Compound Name2-(3-methoxy-11-oxopyrido[2,1-b]quinazolin-8-yl)acetic acid
PubChem CID20525674
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name2-(3-methoxy-11-oxopyrido[2,1-b]quinazolin-8-yl)acetic acid
SMILESCOc1ccc2c(=O)n3cc(CC(=O)O)ccc3nc2c1
InChIInChI=1S/C15H12N2O4/c1-21-10-3-4-11-12(7-10)16-13-5-2-9(6-14(18)19)8-17(13)15(11)20/h2-5,7-8H,6H2,1H3,(H,18,19)
InChIKeyKKFKJRIYUHOUMK-UHFFFAOYSA-N
XLogP1.48
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

sodium;hydride;2-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid
CID 173433782
8-(hydroxymethyl)-2-propan-2-yloxypyrido[2,1-b]quinazolin-11-one
CID 20525676
8-methoxy-2-methylpyrido[2,1-b]quinazolin-11-one
CID 151157986
2-(7-methoxy-4-methylquinolin-2-yl)acetic acid
CID 82574913
2-(7-methoxyquinazolin-4-yl)acetic acid
CID 105471989
2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 18456647
2-(6-methoxynaphthalen-1-yl)acetic acid
CID 10398394
2-methoxy-11-oxopyrido[2,1-b]quinazoline-7-carboxylic acid
CID 13052288
2-chloro-7-methoxy-3-(2-oxopropyl)quinazolin-4-one
CID 117264209
2-amino-7-methoxy-3-methylquinazolin-4-one
CID 84778294
2-[4-fluoro-2-[(4-methoxyphenyl)methyl]indazol-6-yl]acetic acid
CID 155588706
2-(5-methoxy-1-methylbenzimidazol-2-yl)acetic acid
CID 82334255

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-11-oxopyrido[2,1-b]quinazolin-8-yl)acetic acid?
The IUPAC name of 2-(3-methoxy-11-oxopyrido[2,1-b]quinazolin-8-yl)acetic acid (CID 20525674) is 2-(3-methoxy-11-oxopyrido[2,1-b]quinazolin-8-yl)acetic acid.
What is the SMILES notation for 2-(3-methoxy-11-oxopyrido[2,1-b]quinazolin-8-yl)acetic acid?
The canonical SMILES for 2-(3-methoxy-11-oxopyrido[2,1-b]quinazolin-8-yl)acetic acid is COc1ccc2c(=O)n3cc(CC(=O)O)ccc3nc2c1.
What is the InChIKey of 2-(3-methoxy-11-oxopyrido[2,1-b]quinazolin-8-yl)acetic acid?
The InChIKey is KKFKJRIYUHOUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-21-10-3-4-11-12(7-10)16-13-5-2-9(6-14(18)19)8-17(13)15(11)20/h2-5,7-8H,6H2,1H3,(H,18,19).
What are the key properties of 2-(3-methoxy-11-oxopyrido[2,1-b]quinazolin-8-yl)acetic acid?
2-(3-methoxy-11-oxopyrido[2,1-b]quinazolin-8-yl)acetic acid has a molecular weight of 284.27 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-11-oxopyrido[2,1-b]quinazolin-8-yl)acetic acid is sourced from PubChem (CID 20525674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).