4-oxo-2-(quinolin-8-ylmethyl)-3H-quinazoline-7-carboxylic acid

C19H13N3O3 — CID 135833192

IUPAC4-oxo-2-(quinolin-8-ylmethyl)-3H-quinazoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(=O)[nH]c(Cc3cccc4cccnc34)nc2c1
InChIInChI=1S/C19H13N3O3/c23-18-14-7-6-13(19(24)25)9-15(14)21-16(22-18)10-12-4-1-3-11-5-2-8-20-17(11)12/h1-9H,10H2,(H,24,25)(H,21,22,23)
InChIKeyZYNZSGDWBIXIHG-UHFFFAOYSA-N
MW331.33 g/mol
LogP2.76
Rot. Bonds3

About 4-oxo-2-(quinolin-8-ylmethyl)-3H-quinazoline-7-carboxylic acid

4-oxo-2-(quinolin-8-ylmethyl)-3H-quinazoline-7-carboxylic acid (PubChem CID 135833192) has the molecular formula C19H13N3O3 and a molecular weight of 331.33 g/mol. Its IUPAC name is 4-oxo-2-(quinolin-8-ylmethyl)-3H-quinazoline-7-carboxylic acid.

Molecular Properties

Compound Name4-oxo-2-(quinolin-8-ylmethyl)-3H-quinazoline-7-carboxylic acid
PubChem CID135833192
Molecular FormulaC19H13N3O3
Molecular Weight331.33 g/mol
Exact Mass331.10
IUPAC Name4-oxo-2-(quinolin-8-ylmethyl)-3H-quinazoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(=O)[nH]c(Cc3cccc4cccnc34)nc2c1
InChIInChI=1S/C19H13N3O3/c23-18-14-7-6-13(19(24)25)9-15(14)21-16(22-18)10-12-4-1-3-11-5-2-8-20-17(11)12/h1-9H,10H2,(H,24,25)(H,21,22,23)
InChIKeyZYNZSGDWBIXIHG-UHFFFAOYSA-N
XLogP2.76
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-diethoxyphenyl)methyl]-4-oxo-3H-quinazoline-7-carboxylic acid
CID 135833221
7-chloro-2-[[ethyl(quinolin-8-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135875268
5-aminobenzo[f][1,7]naphthyridine-8-carboxylic acid
CID 58213546
7-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 166207806
4-(quinolin-8-ylmethylamino)benzoic acid
CID 43321603
sodium 2-[(4-oxo-3H-quinazolin-2-yl)methyl]benzoate
CID 137193206
4-[(4-oxo-7-phenyl-3H-quinazolin-2-yl)methyl]benzamide
CID 167909516
1-phenyl-2-quinolin-8-ylethanone
CID 171934139
2-(4-ethylhex-1-en-2-ylsulfanylmethyl)-4-oxo-3H-quinazoline-7-carboxylic acid
CID 138746228
2-(naphthalen-1-ylmethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 99976497
aluminum quinolin-8-ylmethanol
CID 23124809
bis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid
CID 121229149

Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-(quinolin-8-ylmethyl)-3H-quinazoline-7-carboxylic acid?
The IUPAC name of 4-oxo-2-(quinolin-8-ylmethyl)-3H-quinazoline-7-carboxylic acid (CID 135833192) is 4-oxo-2-(quinolin-8-ylmethyl)-3H-quinazoline-7-carboxylic acid.
What is the SMILES notation for 4-oxo-2-(quinolin-8-ylmethyl)-3H-quinazoline-7-carboxylic acid?
The canonical SMILES for 4-oxo-2-(quinolin-8-ylmethyl)-3H-quinazoline-7-carboxylic acid is O=C(O)c1ccc2c(=O)[nH]c(Cc3cccc4cccnc34)nc2c1.
What is the InChIKey of 4-oxo-2-(quinolin-8-ylmethyl)-3H-quinazoline-7-carboxylic acid?
The InChIKey is ZYNZSGDWBIXIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3/c23-18-14-7-6-13(19(24)25)9-15(14)21-16(22-18)10-12-4-1-3-11-5-2-8-20-17(11)12/h1-9H,10H2,(H,24,25)(H,21,22,23).
What are the key properties of 4-oxo-2-(quinolin-8-ylmethyl)-3H-quinazoline-7-carboxylic acid?
4-oxo-2-(quinolin-8-ylmethyl)-3H-quinazoline-7-carboxylic acid has a molecular weight of 331.33 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-(quinolin-8-ylmethyl)-3H-quinazoline-7-carboxylic acid is sourced from PubChem (CID 135833192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).