2-methyl-6-(methylamino)-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-4-one

C13H15N3O — CID 142217590

IUPAC2-methyl-6-(methylamino)-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-4-one
SMILESCNC1CCc2cc3nc(C)[nH]c(=O)c3cc21
InChIInChI=1S/C13H15N3O/c1-7-15-12-5-8-3-4-11(14-2)9(8)6-10(12)13(17)16-7/h5-6,11,14H,3-4H2,1-2H3,(H,15,16,17)
InChIKeyXZKBZKLXDCVJFB-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.44
Rot. Bonds1

About 2-methyl-6-(methylamino)-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-4-one

2-methyl-6-(methylamino)-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-4-one (PubChem CID 142217590) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-methyl-6-(methylamino)-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-6-(methylamino)-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-4-one
PubChem CID142217590
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-methyl-6-(methylamino)-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-4-one
SMILESCNC1CCc2cc3nc(C)[nH]c(=O)c3cc21
InChIInChI=1S/C13H15N3O/c1-7-15-12-5-8-3-4-11(14-2)9(8)6-10(12)13(17)16-7/h5-6,11,14H,3-4H2,1-2H3,(H,15,16,17)
InChIKeyXZKBZKLXDCVJFB-UHFFFAOYSA-N
XLogP1.44
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-methyl-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-4-one
CID 142217588
6,7-difluoro-2-methyl-3H-quinazolin-4-one
CID 135742282
4-(7-methoxy-2-methyl-4-oxo-3H-quinazolin-6-yl)piperidine-1-carboxylic acid
CID 175809486
N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine
CID 3058652
tert-butyl 4-[[(6S)-2-methyl-4-oxo-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl]-prop-2-ynylamino]benzoate
CID 136828255
5-fluoro-N,6-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 172576256
2,6,9-trimethyl-3H-pyrazino[2,3-g]quinazoline-4,7,8-trione
CID 156537248
6-bromo-7-fluoro-2-methyl-3H-quinazolin-4-one
CID 136675677
2-methyl-6-[(3S)-oxolan-3-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one
CID 165178715
4-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136978760
7-methoxy-2-methyl-6-[(3R)-oxolan-3-yl]oxy-3H-quinazolin-4-one
CID 154704421
7-iodo-2-methyl-3H-quinazolin-4-one
CID 135742316

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(methylamino)-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-4-one?
The IUPAC name of 2-methyl-6-(methylamino)-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-4-one (CID 142217590) is 2-methyl-6-(methylamino)-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-4-one.
What is the SMILES notation for 2-methyl-6-(methylamino)-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-4-one?
The canonical SMILES for 2-methyl-6-(methylamino)-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-4-one is CNC1CCc2cc3nc(C)[nH]c(=O)c3cc21.
What is the InChIKey of 2-methyl-6-(methylamino)-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-4-one?
The InChIKey is XZKBZKLXDCVJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-7-15-12-5-8-3-4-11(14-2)9(8)6-10(12)13(17)16-7/h5-6,11,14H,3-4H2,1-2H3,(H,15,16,17).
What are the key properties of 2-methyl-6-(methylamino)-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-4-one?
2-methyl-6-(methylamino)-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-4-one has a molecular weight of 229.28 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(methylamino)-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-4-one is sourced from PubChem (CID 142217590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).