3-amino-8-chloro-6-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one

C13H12ClN3O — CID 135838181

IUPAC3-amino-8-chloro-6-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one
SMILESCC1Cc2nc(N)[nH]c(=O)c2-c2ccc(Cl)cc21
InChIInChI=1S/C13H12ClN3O/c1-6-4-10-11(12(18)17-13(15)16-10)8-3-2-7(14)5-9(6)8/h2-3,5-6H,4H2,1H3,(H3,15,16,17,18)
InChIKeyLBWKYRAAEFPNRI-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.33
Rot. Bonds

About 3-amino-8-chloro-6-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one

3-amino-8-chloro-6-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one (PubChem CID 135838181) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 3-amino-8-chloro-6-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one.

Molecular Properties

Compound Name3-amino-8-chloro-6-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one
PubChem CID135838181
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name3-amino-8-chloro-6-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one
SMILESCC1Cc2nc(N)[nH]c(=O)c2-c2ccc(Cl)cc21
InChIInChI=1S/C13H12ClN3O/c1-6-4-10-11(12(18)17-13(15)16-10)8-3-2-7(14)5-9(6)8/h2-3,5-6H,4H2,1H3,(H3,15,16,17,18)
InChIKeyLBWKYRAAEFPNRI-UHFFFAOYSA-N
XLogP2.33
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-5,6-dihydrobenzo[f]quinazolin-1(2H)-one
CID 135838221
3-amino-9-chloro-5,6-dihydro-2H-benzo[f]quinazolin-1-one
CID 135838124
3-amino-9-chloro-6-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one
CID 135838236
3-amino-9-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one
CID 135838238
5-(3-chlorophenyl)-2-(methylsulfanyl)-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
CID 135472220
5-(4-chlorophenyl)-2-(methylsulfanyl)-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
CID 135448492
2-Amino-5-(3-chlorophenyl)-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione
CID 135472148
9-chloro-3-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one
CID 135813745
3-Amino-8,9-dichloro-5,6-dihydro-2H-benzo[f]quinazolin-1-one
CID 135838138
4(1H)-Pyrimidinone, 2-amino-5-(4-chlorophenyl)-6-ethyl-
CID 135407971
3-amino-7-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one
CID 135838108
7-chloro-3-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one
CID 135838133

Frequently Asked Questions

What is the IUPAC name of 3-amino-8-chloro-6-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one?
The IUPAC name of 3-amino-8-chloro-6-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one (CID 135838181) is 3-amino-8-chloro-6-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one.
What is the SMILES notation for 3-amino-8-chloro-6-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one?
The canonical SMILES for 3-amino-8-chloro-6-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one is CC1Cc2nc(N)[nH]c(=O)c2-c2ccc(Cl)cc21.
What is the InChIKey of 3-amino-8-chloro-6-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one?
The InChIKey is LBWKYRAAEFPNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-6-4-10-11(12(18)17-13(15)16-10)8-3-2-7(14)5-9(6)8/h2-3,5-6H,4H2,1H3,(H3,15,16,17,18).
What are the key properties of 3-amino-8-chloro-6-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one?
3-amino-8-chloro-6-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one has a molecular weight of 261.71 g/mol, XLogP of 2.33, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-8-chloro-6-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one is sourced from PubChem (CID 135838181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).