8-(2-hydroxy-5-methylbenzoyl)pyrido[2,1-b]quinazolin-11-one

C20H14N2O3 — CID 17395203

IUPAC8-(2-hydroxy-5-methylbenzoyl)pyrido[2,1-b]quinazolin-11-one
SMILESCc1ccc(O)c(C(=O)c2ccc3nc4ccccc4c(=O)n3c2)c1
InChIInChI=1S/C20H14N2O3/c1-12-6-8-17(23)15(10-12)19(24)13-7-9-18-21-16-5-3-2-4-14(16)20(25)22(18)11-13/h2-11,23H,1H3
InChIKeyKNNVWRFLACZEHT-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.09
Rot. Bonds2

About 8-(2-hydroxy-5-methylbenzoyl)pyrido[2,1-b]quinazolin-11-one

8-(2-hydroxy-5-methylbenzoyl)pyrido[2,1-b]quinazolin-11-one (PubChem CID 17395203) has the molecular formula C20H14N2O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is 8-(2-hydroxy-5-methylbenzoyl)pyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name8-(2-hydroxy-5-methylbenzoyl)pyrido[2,1-b]quinazolin-11-one
PubChem CID17395203
Molecular FormulaC20H14N2O3
Molecular Weight330.34 g/mol
Exact Mass330.10
IUPAC Name8-(2-hydroxy-5-methylbenzoyl)pyrido[2,1-b]quinazolin-11-one
SMILESCc1ccc(O)c(C(=O)c2ccc3nc4ccccc4c(=O)n3c2)c1
InChIInChI=1S/C20H14N2O3/c1-12-6-8-17(23)15(10-12)19(24)13-7-9-18-21-16-5-3-2-4-14(16)20(25)22(18)11-13/h2-11,23H,1H3
InChIKeyKNNVWRFLACZEHT-UHFFFAOYSA-N
XLogP3.09
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.09
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

N-benzyl-N-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxamide
CID 3297403
8-methoxy-2-methylpyrido[2,1-b]quinazolin-11-one
CID 151157986
11-oxo-2-propan-2-ylpyrido[2,1-b]quinazoline-8-carboxylic acid
CID 12562128
2-bromo-8-methylpyrido[2,1-b]quinazolin-11-one
CID 12562121
8-nitropyrido[2,1-b]quinazolin-11-one
CID 71329099
[2-(3-methylphenyl)-4-oxoquinazolin-3-yl] 4-methylbenzoate
CID 118737735
2-[2-(2,4-dimethylphenyl)ethenyl]-3-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 56617409
sodium;hydride;2-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid
CID 173433782
[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-(4-methylphenyl)methanone
CID 18720381
4-(2-hydroxy-5-methylbenzoyl)benzaldehyde
CID 143547610
(2-hydroxy-5-methylphenyl)-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)methanone
CID 901814
1-(2-hydroxy-5-methylphenyl)-2-naphthalen-1-ylethanone
CID 155671739

Frequently Asked Questions

What is the IUPAC name of 8-(2-hydroxy-5-methylbenzoyl)pyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 8-(2-hydroxy-5-methylbenzoyl)pyrido[2,1-b]quinazolin-11-one (CID 17395203) is 8-(2-hydroxy-5-methylbenzoyl)pyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 8-(2-hydroxy-5-methylbenzoyl)pyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 8-(2-hydroxy-5-methylbenzoyl)pyrido[2,1-b]quinazolin-11-one is Cc1ccc(O)c(C(=O)c2ccc3nc4ccccc4c(=O)n3c2)c1.
What is the InChIKey of 8-(2-hydroxy-5-methylbenzoyl)pyrido[2,1-b]quinazolin-11-one?
The InChIKey is KNNVWRFLACZEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3/c1-12-6-8-17(23)15(10-12)19(24)13-7-9-18-21-16-5-3-2-4-14(16)20(25)22(18)11-13/h2-11,23H,1H3.
What are the key properties of 8-(2-hydroxy-5-methylbenzoyl)pyrido[2,1-b]quinazolin-11-one?
8-(2-hydroxy-5-methylbenzoyl)pyrido[2,1-b]quinazolin-11-one has a molecular weight of 330.34 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-hydroxy-5-methylbenzoyl)pyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 17395203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).