N-(2-cyano-4-methylpentan-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

C19H24N4O2 — CID 75418855

IUPACN-(2-cyano-4-methylpentan-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCc1cccc2c(=O)n(CCC(=O)NC(C)(C#N)CC(C)C)cnc12
InChIInChI=1S/C19H24N4O2/c1-13(2)10-19(4,11-20)22-16(24)8-9-23-12-21-17-14(3)6-5-7-15(17)18(23)25/h5-7,12-13H,8-10H2,1-4H3,(H,22,24)
InChIKeyFDNFGJXOMWLOMT-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.54
Rot. Bonds6

About N-(2-cyano-4-methylpentan-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

N-(2-cyano-4-methylpentan-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (PubChem CID 75418855) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(2-cyano-4-methylpentan-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-cyano-4-methylpentan-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
PubChem CID75418855
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-(2-cyano-4-methylpentan-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCc1cccc2c(=O)n(CCC(=O)NC(C)(C#N)CC(C)C)cnc12
InChIInChI=1S/C19H24N4O2/c1-13(2)10-19(4,11-20)22-16(24)8-9-23-12-21-17-14(3)6-5-7-15(17)18(23)25/h5-7,12-13H,8-10H2,1-4H3,(H,22,24)
InChIKeyFDNFGJXOMWLOMT-UHFFFAOYSA-N
XLogP2.54
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-cyano-4-methylpentan-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-(1-amino-2,3-dimethylbutan-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 119607074
2-methyl-N-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]propanamide
CID 27146491
N-(3-cyanothiophen-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 27134373
N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide
CID 25326839
3-(2-aminoethyl)-8-methylquinazolin-4-one
CID 82506522
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
3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 39394609
N-[(4-fluoro-3-methylphenyl)methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 26053992
3-(8-methyl-4-oxoquinazolin-3-yl)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide
CID 35376766
4-chloro-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide
CID 27147734

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-methylpentan-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(2-cyano-4-methylpentan-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (CID 75418855) is N-(2-cyano-4-methylpentan-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(2-cyano-4-methylpentan-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(2-cyano-4-methylpentan-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is Cc1cccc2c(=O)n(CCC(=O)NC(C)(C#N)CC(C)C)cnc12.
What is the InChIKey of N-(2-cyano-4-methylpentan-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The InChIKey is FDNFGJXOMWLOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13(2)10-19(4,11-20)22-16(24)8-9-23-12-21-17-14(3)6-5-7-15(17)18(23)25/h5-7,12-13H,8-10H2,1-4H3,(H,22,24).
What are the key properties of N-(2-cyano-4-methylpentan-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
N-(2-cyano-4-methylpentan-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide has a molecular weight of 340.43 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-methylpentan-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 75418855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).