N-methyl-N-(2-methylpropyl)-3-(4-oxoquinazolin-3-yl)propanamide

C16H21N3O2 — CID 134058897

IUPACN-methyl-N-(2-methylpropyl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCC(C)CN(C)C(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C16H21N3O2/c1-12(2)10-18(3)15(20)8-9-19-11-17-14-7-5-4-6-13(14)16(19)21/h4-7,11-12H,8-10H2,1-3H3
InChIKeyCTSAWLGUNMKJLK-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.90
Rot. Bonds5

About N-methyl-N-(2-methylpropyl)-3-(4-oxoquinazolin-3-yl)propanamide

N-methyl-N-(2-methylpropyl)-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 134058897) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-methyl-N-(2-methylpropyl)-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylpropyl)-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID134058897
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-methyl-N-(2-methylpropyl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCC(C)CN(C)C(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C16H21N3O2/c1-12(2)10-18(3)15(20)8-9-19-11-17-14-7-5-4-6-13(14)16(19)21/h4-7,11-12H,8-10H2,1-3H3
InChIKeyCTSAWLGUNMKJLK-UHFFFAOYSA-N
XLogP1.90
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl-[3-(4-oxoquinazolin-3-yl)propanoyl]amino]butanoic acid
CID 119137206
N-methyl-3-(4-oxoquinazolin-3-yl)-N-phenylpropanamide
CID 25298269
N-[(4-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 51272205
N-[(2-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 51271973
2-[3-(4-oxoquinazolin-3-yl)propanoyl-propan-2-ylamino]acetic acid
CID 119198315
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 86817821
2-(4-oxoquinazolin-3-yl)ethyl 4-methylpentanoate
CID 30338221
N-methyl-3-(4-oxoquinazolin-3-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 55462322
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 129490734
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 55694713
3-propylquinazolin-4-one
CID 529124
methyl 3-oxo-5-(4-oxoquinazolin-3-yl)pentanoate
CID 46949976

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylpropyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-methyl-N-(2-methylpropyl)-3-(4-oxoquinazolin-3-yl)propanamide (CID 134058897) is N-methyl-N-(2-methylpropyl)-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-methyl-N-(2-methylpropyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-methyl-N-(2-methylpropyl)-3-(4-oxoquinazolin-3-yl)propanamide is CC(C)CN(C)C(=O)CCn1cnc2ccccc2c1=O.
What is the InChIKey of N-methyl-N-(2-methylpropyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is CTSAWLGUNMKJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12(2)10-18(3)15(20)8-9-19-11-17-14-7-5-4-6-13(14)16(19)21/h4-7,11-12H,8-10H2,1-3H3.
What are the key properties of N-methyl-N-(2-methylpropyl)-3-(4-oxoquinazolin-3-yl)propanamide?
N-methyl-N-(2-methylpropyl)-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 287.36 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylpropyl)-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 134058897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).