7-methyl-2-[(4-methylcyclohexyl)amino]-7,8-dihydro-6H-quinazolin-5-one

C16H23N3O — CID 57389235

IUPAC7-methyl-2-[(4-methylcyclohexyl)amino]-7,8-dihydro-6H-quinazolin-5-one
SMILESCC1CCC(Nc2ncc3c(n2)CC(C)CC3=O)CC1
InChIInChI=1S/C16H23N3O/c1-10-3-5-12(6-4-10)18-16-17-9-13-14(19-16)7-11(2)8-15(13)20/h9-12H,3-8H2,1-2H3,(H,17,18,19)
InChIKeyNRAQZZMWTWPSPY-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.23
Rot. Bonds2

About 7-methyl-2-[(4-methylcyclohexyl)amino]-7,8-dihydro-6H-quinazolin-5-one

7-methyl-2-[(4-methylcyclohexyl)amino]-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 57389235) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 7-methyl-2-[(4-methylcyclohexyl)amino]-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name7-methyl-2-[(4-methylcyclohexyl)amino]-7,8-dihydro-6H-quinazolin-5-one
PubChem CID57389235
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name7-methyl-2-[(4-methylcyclohexyl)amino]-7,8-dihydro-6H-quinazolin-5-one
SMILESCC1CCC(Nc2ncc3c(n2)CC(C)CC3=O)CC1
InChIInChI=1S/C16H23N3O/c1-10-3-5-12(6-4-10)18-16-17-9-13-14(19-16)7-11(2)8-15(13)20/h9-12H,3-8H2,1-2H3,(H,17,18,19)
InChIKeyNRAQZZMWTWPSPY-UHFFFAOYSA-N
XLogP3.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(4-methylcyclohexyl)amino]-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 7-methyl-2-[(4-methylcyclohexyl)amino]-7,8-dihydro-6H-quinazolin-5-one (CID 57389235) is 7-methyl-2-[(4-methylcyclohexyl)amino]-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 7-methyl-2-[(4-methylcyclohexyl)amino]-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 7-methyl-2-[(4-methylcyclohexyl)amino]-7,8-dihydro-6H-quinazolin-5-one is CC1CCC(Nc2ncc3c(n2)CC(C)CC3=O)CC1.
What is the InChIKey of 7-methyl-2-[(4-methylcyclohexyl)amino]-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is NRAQZZMWTWPSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-10-3-5-12(6-4-10)18-16-17-9-13-14(19-16)7-11(2)8-15(13)20/h9-12H,3-8H2,1-2H3,(H,17,18,19).
What are the key properties of 7-methyl-2-[(4-methylcyclohexyl)amino]-7,8-dihydro-6H-quinazolin-5-one?
7-methyl-2-[(4-methylcyclohexyl)amino]-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 273.38 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[(4-methylcyclohexyl)amino]-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 57389235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).