3H-pyrimido[5,4-c]quinolin-4-one

C11H7N3O — CID 135802600

IUPAC3H-pyrimido[5,4-c]quinolin-4-one
SMILESO=c1[nH]cnc2c1cnc1ccccc12
InChIInChI=1S/C11H7N3O/c15-11-8-5-12-9-4-2-1-3-7(9)10(8)13-6-14-11/h1-6H,(H,13,14,15)
InChIKeyXRHGKTQGQIAMBO-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.47
Rot. Bonds

About 3H-pyrimido[5,4-c]quinolin-4-one

3H-pyrimido[5,4-c]quinolin-4-one (PubChem CID 135802600) has the molecular formula C11H7N3O and a molecular weight of 197.20 g/mol. Its IUPAC name is 3H-pyrimido[5,4-c]quinolin-4-one.

Molecular Properties

Compound Name3H-pyrimido[5,4-c]quinolin-4-one
PubChem CID135802600
Molecular FormulaC11H7N3O
Molecular Weight197.20 g/mol
Exact Mass197.06
IUPAC Name3H-pyrimido[5,4-c]quinolin-4-one
SMILESO=c1[nH]cnc2c1cnc1ccccc12
InChIInChI=1S/C11H7N3O/c15-11-8-5-12-9-4-2-1-3-7(9)10(8)13-6-14-11/h1-6H,(H,13,14,15)
InChIKeyXRHGKTQGQIAMBO-UHFFFAOYSA-N
XLogP1.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

methane;3H-quinazolin-4-one
CID 143348425
ethane;iodomethane;3H-quinazolin-4-one
CID 136650915
formic acid;3H-imidazo[4,5-c]quinoline
CID 70429853
6-deuterio-3H-quinazolin-4-one
CID 175821889
6-phenyl-3H-quinazolin-4-one
CID 135741302
4-chloroquinazoline;phosphoryl trichloride;3H-quinazolin-4-one
CID 158793020
2,10,13,21-tetrazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 12589043
2-(4-oxo-3H-quinazolin-6-yl)-3H-quinazolin-4-one
CID 168553315
3,7-dihydropyrrolo[2,3-h]quinazolin-4-one
CID 152522842
8-(5-bromo-2-methyl-3-pyridinyl)-3H-quinazolin-4-one
CID 142793210
8-(pyridin-2-ylsulfanylamino)-3H-quinazolin-4-one
CID 164876853
8-(2-aminoethyl)-3H-quinazolin-4-one
CID 174220949

Frequently Asked Questions

What is the IUPAC name of 3H-pyrimido[5,4-c]quinolin-4-one?
The IUPAC name of 3H-pyrimido[5,4-c]quinolin-4-one (CID 135802600) is 3H-pyrimido[5,4-c]quinolin-4-one.
What is the SMILES notation for 3H-pyrimido[5,4-c]quinolin-4-one?
The canonical SMILES for 3H-pyrimido[5,4-c]quinolin-4-one is O=c1[nH]cnc2c1cnc1ccccc12.
What is the InChIKey of 3H-pyrimido[5,4-c]quinolin-4-one?
The InChIKey is XRHGKTQGQIAMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O/c15-11-8-5-12-9-4-2-1-3-7(9)10(8)13-6-14-11/h1-6H,(H,13,14,15).
What are the key properties of 3H-pyrimido[5,4-c]quinolin-4-one?
3H-pyrimido[5,4-c]quinolin-4-one has a molecular weight of 197.20 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyrimido[5,4-c]quinolin-4-one is sourced from PubChem (CID 135802600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).