pyrimido[6,1-b]quinazolin-10-one

C11H7N3O — CID 142486483

IUPACpyrimido[6,1-b]quinazolin-10-one
SMILESO=c1c2ccccc2nc2ccncn12
InChIInChI=1S/C11H7N3O/c15-11-8-3-1-2-4-9(8)13-10-5-6-12-7-14(10)11/h1-7H
InChIKeyODBJDGBPEHENEE-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.24
Rot. Bonds

About pyrimido[6,1-b]quinazolin-10-one

pyrimido[6,1-b]quinazolin-10-one (PubChem CID 142486483) has the molecular formula C11H7N3O and a molecular weight of 197.20 g/mol. Its IUPAC name is pyrimido[6,1-b]quinazolin-10-one.

Molecular Properties

Compound Namepyrimido[6,1-b]quinazolin-10-one
PubChem CID142486483
Molecular FormulaC11H7N3O
Molecular Weight197.20 g/mol
Exact Mass197.06
IUPAC Namepyrimido[6,1-b]quinazolin-10-one
SMILESO=c1c2ccccc2nc2ccncn12
InChIInChI=1S/C11H7N3O/c15-11-8-3-1-2-4-9(8)13-10-5-6-12-7-14(10)11/h1-7H
InChIKeyODBJDGBPEHENEE-UHFFFAOYSA-N
XLogP1.24
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-[2-[3,5-bis[2-(11-oxopyrido[2,1-b]quinazolin-7-yl)phenyl]phenyl]phenyl]pyrido[2,1-b]quinazolin-11-one
CID 134191367
8-nitropyrido[2,1-b]quinazolin-11-one
CID 71329099
9-methylpyrido[2,1-b]quinazolin-11-one
CID 11321767
2-(4-phenylphenyl)-3-pyridin-4-ylquinazolin-4-one
CID 1047183
2-methoxy-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 19826341
5-methylquinolino[2,1-b]quinazolin-12-one
CID 14666352
2-(trifluoromethyl)pyrido[2,1-b]quinazolin-11-one
CID 132503374
N-benzyl-N-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxamide
CID 3297403
3-hydroxy-2-[2-(pyridin-4-ylmethylidene)hydrazinyl]quinazolin-4-one
CID 4911064
3-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide
CID 39046968
3-benzyl-2-[(E)-2-pyridin-4-ylethenyl]quinazolin-4-one
CID 53245550
8-(2-hydroxy-5-methylbenzoyl)pyrido[2,1-b]quinazolin-11-one
CID 17395203

Frequently Asked Questions

What is the IUPAC name of pyrimido[6,1-b]quinazolin-10-one?
The IUPAC name of pyrimido[6,1-b]quinazolin-10-one (CID 142486483) is pyrimido[6,1-b]quinazolin-10-one.
What is the SMILES notation for pyrimido[6,1-b]quinazolin-10-one?
The canonical SMILES for pyrimido[6,1-b]quinazolin-10-one is O=c1c2ccccc2nc2ccncn12.
What is the InChIKey of pyrimido[6,1-b]quinazolin-10-one?
The InChIKey is ODBJDGBPEHENEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O/c15-11-8-3-1-2-4-9(8)13-10-5-6-12-7-14(10)11/h1-7H.
What are the key properties of pyrimido[6,1-b]quinazolin-10-one?
pyrimido[6,1-b]quinazolin-10-one has a molecular weight of 197.20 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimido[6,1-b]quinazolin-10-one is sourced from PubChem (CID 142486483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).