7-chloro-3-methyl-2-[(1R)-1-(2-methylpropylamino)ethyl]quinazolin-4-one

C15H20ClN3O — CID 769633

IUPAC7-chloro-3-methyl-2-[(1R)-1-(2-methylpropylamino)ethyl]quinazolin-4-one
SMILESCC(C)CN[C@H](C)c1nc2cc(Cl)ccc2c(=O)n1C
InChIInChI=1S/C15H20ClN3O/c1-9(2)8-17-10(3)14-18-13-7-11(16)5-6-12(13)15(20)19(14)4/h5-7,9-10,17H,8H2,1-4H3/t10-/m1/s1
InChIKeyOIIFUDHWTGYJOV-SNVBAGLBSA-N
MW293.80 g/mol
LogP2.89
Rot. Bonds4

About 7-chloro-3-methyl-2-[(1R)-1-(2-methylpropylamino)ethyl]quinazolin-4-one

7-chloro-3-methyl-2-[(1R)-1-(2-methylpropylamino)ethyl]quinazolin-4-one (PubChem CID 769633) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 7-chloro-3-methyl-2-[(1R)-1-(2-methylpropylamino)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-3-methyl-2-[(1R)-1-(2-methylpropylamino)ethyl]quinazolin-4-one
PubChem CID769633
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name7-chloro-3-methyl-2-[(1R)-1-(2-methylpropylamino)ethyl]quinazolin-4-one
SMILESCC(C)CN[C@H](C)c1nc2cc(Cl)ccc2c(=O)n1C
InChIInChI=1S/C15H20ClN3O/c1-9(2)8-17-10(3)14-18-13-7-11(16)5-6-12(13)15(20)19(14)4/h5-7,9-10,17H,8H2,1-4H3/t10-/m1/s1
InChIKeyOIIFUDHWTGYJOV-SNVBAGLBSA-N
XLogP2.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-2-[(1S)-1-(hexylamino)ethyl]-3-methylquinazolin-4-one
CID 7262108
3-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-1,1-dimethylurea
CID 4661015
1-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)urea
CID 1055839
3-benzyl-7-chloro-2-[1-(2-methylpropylamino)propyl]quinazolin-4-one
CID 20785808
N-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide
CID 1055781
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]naphthalene-1-carboxamide
CID 4573160
N-[(1R)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluorobenzamide
CID 1055784
7-chloro-2-[(1R)-1-(ethylamino)ethyl]-3-(4-methylphenyl)quinazolin-4-one
CID 769847
7-chloro-3-ethyl-2-[(1S)-1-(hexylamino)ethyl]quinazolin-4-one
CID 7361055
1-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclohexylurea
CID 3895927
7-chloro-2-[(1S)-1-(3-methylbutylamino)ethyl]-3-(4-methylphenyl)quinazolin-4-one
CID 1055158
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-pentylbutanamide
CID 42716945

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-2-[(1R)-1-(2-methylpropylamino)ethyl]quinazolin-4-one?
The IUPAC name of 7-chloro-3-methyl-2-[(1R)-1-(2-methylpropylamino)ethyl]quinazolin-4-one (CID 769633) is 7-chloro-3-methyl-2-[(1R)-1-(2-methylpropylamino)ethyl]quinazolin-4-one.
What is the SMILES notation for 7-chloro-3-methyl-2-[(1R)-1-(2-methylpropylamino)ethyl]quinazolin-4-one?
The canonical SMILES for 7-chloro-3-methyl-2-[(1R)-1-(2-methylpropylamino)ethyl]quinazolin-4-one is CC(C)CN[C@H](C)c1nc2cc(Cl)ccc2c(=O)n1C.
What is the InChIKey of 7-chloro-3-methyl-2-[(1R)-1-(2-methylpropylamino)ethyl]quinazolin-4-one?
The InChIKey is OIIFUDHWTGYJOV-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-9(2)8-17-10(3)14-18-13-7-11(16)5-6-12(13)15(20)19(14)4/h5-7,9-10,17H,8H2,1-4H3/t10-/m1/s1.
What are the key properties of 7-chloro-3-methyl-2-[(1R)-1-(2-methylpropylamino)ethyl]quinazolin-4-one?
7-chloro-3-methyl-2-[(1R)-1-(2-methylpropylamino)ethyl]quinazolin-4-one has a molecular weight of 293.80 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-2-[(1R)-1-(2-methylpropylamino)ethyl]quinazolin-4-one is sourced from PubChem (CID 769633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).