2-[(1R)-1-(benzylamino)propyl]-3-methylquinazolin-4-one

C19H21N3O — CID 769523

IUPAC2-[(1R)-1-(benzylamino)propyl]-3-methylquinazolin-4-one
SMILESCC[C@@H](NCc1ccccc1)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C19H21N3O/c1-3-16(20-13-14-9-5-4-6-10-14)18-21-17-12-8-7-11-15(17)19(23)22(18)2/h4-12,16,20H,3,13H2,1-2H3/t16-/m1/s1
InChIKeySQJOMKYOLHOGBW-MRXNPFEDSA-N
MW307.40 g/mol
LogP3.17
Rot. Bonds5

About 2-[(1R)-1-(benzylamino)propyl]-3-methylquinazolin-4-one

2-[(1R)-1-(benzylamino)propyl]-3-methylquinazolin-4-one (PubChem CID 769523) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[(1R)-1-(benzylamino)propyl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-[(1R)-1-(benzylamino)propyl]-3-methylquinazolin-4-one
PubChem CID769523
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2-[(1R)-1-(benzylamino)propyl]-3-methylquinazolin-4-one
SMILESCC[C@@H](NCc1ccccc1)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C19H21N3O/c1-3-16(20-13-14-9-5-4-6-10-14)18-21-17-12-8-7-11-15(17)19(23)22(18)2/h4-12,16,20H,3,13H2,1-2H3/t16-/m1/s1
InChIKeySQJOMKYOLHOGBW-MRXNPFEDSA-N
XLogP3.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1S)-1-(ethylamino)propyl]-3-methylquinazolin-4-one
CID 769516
3-benzyl-2-[(1S)-1-(benzylamino)propyl]quinazolin-4-one
CID 1051972
2-[(1S)-1-(benzylamino)ethyl]-3-propylquinazolin-4-one
CID 769672
3-ethyl-2-[(1S)-1-(propylamino)propyl]quinazolin-4-one
CID 7301405
butyl-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)propyl]azanium
CID 7288561
2-[1-(benzylamino)ethyl]-3-(4-chlorophenyl)quinazolin-4-one
CID 4266946
3-benzyl-2-[(1R)-1-(ethylamino)ethyl]quinazolin-4-one
CID 769316
3-(2-methoxyethyl)-2-[(1R)-1-(2-methylpropylamino)propyl]quinazolin-4-one
CID 7365393
3-benzyl-2-[1-(benzylamino)propyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 22180079
2-[1-(benzylamino)ethyl]-3-(2,5-dimethylphenyl)quinazolin-4-one
CID 3997986
N-benzyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]propanamide
CID 42711039
3-(4-ethylphenyl)-2-[(1S)-1-(pentylamino)propyl]quinazolin-4-one
CID 7201744

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(benzylamino)propyl]-3-methylquinazolin-4-one?
The IUPAC name of 2-[(1R)-1-(benzylamino)propyl]-3-methylquinazolin-4-one (CID 769523) is 2-[(1R)-1-(benzylamino)propyl]-3-methylquinazolin-4-one.
What is the SMILES notation for 2-[(1R)-1-(benzylamino)propyl]-3-methylquinazolin-4-one?
The canonical SMILES for 2-[(1R)-1-(benzylamino)propyl]-3-methylquinazolin-4-one is CC[C@@H](NCc1ccccc1)c1nc2ccccc2c(=O)n1C.
What is the InChIKey of 2-[(1R)-1-(benzylamino)propyl]-3-methylquinazolin-4-one?
The InChIKey is SQJOMKYOLHOGBW-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21N3O/c1-3-16(20-13-14-9-5-4-6-10-14)18-21-17-12-8-7-11-15(17)19(23)22(18)2/h4-12,16,20H,3,13H2,1-2H3/t16-/m1/s1.
What are the key properties of 2-[(1R)-1-(benzylamino)propyl]-3-methylquinazolin-4-one?
2-[(1R)-1-(benzylamino)propyl]-3-methylquinazolin-4-one has a molecular weight of 307.40 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(benzylamino)propyl]-3-methylquinazolin-4-one is sourced from PubChem (CID 769523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).