N-(1-amino-2,3-dimethylbutan-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

C18H26N4O2 — CID 119607074

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCc1cccc2c(=O)n(CCC(=O)NC(C)(CN)C(C)C)cnc12
InChIInChI=1S/C18H26N4O2/c1-12(2)18(4,10-19)21-15(23)8-9-22-11-20-16-13(3)6-5-7-14(16)17(22)24/h5-7,11-12H,8-10,19H2,1-4H3,(H,21,23)
InChIKeyVJZYKXZTAZWJMB-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.58
Rot. Bonds6

About N-(1-amino-2,3-dimethylbutan-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

N-(1-amino-2,3-dimethylbutan-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (PubChem CID 119607074) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
PubChem CID119607074
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCc1cccc2c(=O)n(CCC(=O)NC(C)(CN)C(C)C)cnc12
InChIInChI=1S/C18H26N4O2/c1-12(2)18(4,10-19)21-15(23)8-9-22-11-20-16-13(3)6-5-7-14(16)17(22)24/h5-7,11-12H,8-10,19H2,1-4H3,(H,21,23)
InChIKeyVJZYKXZTAZWJMB-UHFFFAOYSA-N
XLogP1.58
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-amino-2,3-dimethylbutan-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide with MolForge

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Related Compounds

N-[(2R)-2-cyano-4-methylpentan-2-yl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 97315938
N-(2-cyano-4-methylpentan-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 75418855
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 119608766
3-(2-aminoethyl)-8-methylquinazolin-4-one
CID 82506522
2-methyl-N-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]propanamide
CID 27146491
N-[2-(aminomethyl)cyclohexyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 119610697
N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide
CID 25326839
3-(8-methyl-4-oxoquinazolin-3-yl)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide
CID 35376766
3-(2-fluoroethyl)-8-methylquinazolin-4-one
CID 71007475
N-(2,3-dichlorophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 27147913
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 42947647
N-[(4-fluoro-3-methylphenyl)methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 26053992

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (CID 119607074) is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is Cc1cccc2c(=O)n(CCC(=O)NC(C)(CN)C(C)C)cnc12.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The InChIKey is VJZYKXZTAZWJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-12(2)18(4,10-19)21-15(23)8-9-22-11-20-16-13(3)6-5-7-14(16)17(22)24/h5-7,11-12H,8-10,19H2,1-4H3,(H,21,23).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide has a molecular weight of 330.43 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 119607074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).