5,10-dihydro-3H-pyrimido[4,5-b]quinolin-4-one

C11H9N3O — CID 135692621

IUPAC5,10-dihydro-3H-pyrimido[4,5-b]quinolin-4-one
SMILESO=c1[nH]cnc2c1Cc1ccccc1N2
InChIInChI=1S/C11H9N3O/c15-11-8-5-7-3-1-2-4-9(7)14-10(8)12-6-13-11/h1-4,6H,5H2,(H2,12,13,14,15)
InChIKeyFMQJHZGHPBKACC-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.42
Rot. Bonds

About 5,10-dihydro-3H-pyrimido[4,5-b]quinolin-4-one

5,10-dihydro-3H-pyrimido[4,5-b]quinolin-4-one (PubChem CID 135692621) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 5,10-dihydro-3H-pyrimido[4,5-b]quinolin-4-one.

Molecular Properties

Compound Name5,10-dihydro-3H-pyrimido[4,5-b]quinolin-4-one
PubChem CID135692621
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name5,10-dihydro-3H-pyrimido[4,5-b]quinolin-4-one
SMILESO=c1[nH]cnc2c1Cc1ccccc1N2
InChIInChI=1S/C11H9N3O/c15-11-8-5-7-3-1-2-4-9(7)14-10(8)12-6-13-11/h1-4,6H,5H2,(H2,12,13,14,15)
InChIKeyFMQJHZGHPBKACC-UHFFFAOYSA-N
XLogP1.42
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Mls002694009
CID 135454055
4-[3-(trifluoromethyl)anilino]-1H-pyrimidin-6-one
CID 135418899
1-(4-Oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)-3-phenylguanidine
CID 135513612
2-[3-(5-aminopentyl)-2-anilino-4H-quinazolin-4-yl]-N-benzylacetamide
CID 25112246
2-p-Tolylamino-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135399526
2-Amino-5-ethyl-6-(o-tolylamino)pyrimidin-4(1H)-one
CID 135408562
1-(2,4-Dimethylphenyl)-3-(4-oxo-1,4,5,6,7,8-hexahydroquinazolin-2-yl)guanidine
CID 135473417
1-(3-Methylphenyl)-2-(4-oxo-1,4,5,6,7,8-hexahydroquinazolin-2-yl)guanidine
CID 135485467
4(3H)-Quinazolinone, 3-((phenylamino)methyl)-, dihydrochloride
CID 63888
5-(1-Methyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrimidin-4-ol
CID 3073830
N-[N'-[(3-iodophenyl)methyl]carbamimidoyl]-1-(111C)methyl-4H-quinoline-3-carboxamide
CID 46180756
3-Methyl-2-(phenylamino)quinazolin-4(3h)-one
CID 252913

Frequently Asked Questions

What is the IUPAC name of 5,10-dihydro-3H-pyrimido[4,5-b]quinolin-4-one?
The IUPAC name of 5,10-dihydro-3H-pyrimido[4,5-b]quinolin-4-one (CID 135692621) is 5,10-dihydro-3H-pyrimido[4,5-b]quinolin-4-one.
What is the SMILES notation for 5,10-dihydro-3H-pyrimido[4,5-b]quinolin-4-one?
The canonical SMILES for 5,10-dihydro-3H-pyrimido[4,5-b]quinolin-4-one is O=c1[nH]cnc2c1Cc1ccccc1N2.
What is the InChIKey of 5,10-dihydro-3H-pyrimido[4,5-b]quinolin-4-one?
The InChIKey is FMQJHZGHPBKACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c15-11-8-5-7-3-1-2-4-9(7)14-10(8)12-6-13-11/h1-4,6H,5H2,(H2,12,13,14,15).
What are the key properties of 5,10-dihydro-3H-pyrimido[4,5-b]quinolin-4-one?
5,10-dihydro-3H-pyrimido[4,5-b]quinolin-4-one has a molecular weight of 199.21 g/mol, XLogP of 1.42, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dihydro-3H-pyrimido[4,5-b]quinolin-4-one is sourced from PubChem (CID 135692621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).