N-(2-methylbutan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide

C16H21N3O2 — CID 135522437

IUPACN-(2-methylbutan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)CCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H21N3O2/c1-4-16(2,3)19-14(20)10-9-13-17-12-8-6-5-7-11(12)15(21)18-13/h5-8H,4,9-10H2,1-3H3,(H,19,20)(H,17,18,21)
InChIKeyDMPXQZLOBIYOMU-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.16
Rot. Bonds5

About N-(2-methylbutan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide

N-(2-methylbutan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide (PubChem CID 135522437) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
PubChem CID135522437
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(2-methylbutan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)CCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H21N3O2/c1-4-16(2,3)19-14(20)10-9-13-17-12-8-6-5-7-11(12)15(21)18-13/h5-8H,4,9-10H2,1-3H3,(H,19,20)(H,17,18,21)
InChIKeyDMPXQZLOBIYOMU-UHFFFAOYSA-N
XLogP2.16
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-oxo-3H-quinazolin-2-yl)-N-prop-2-ynylpropanamide
CID 135687166
3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-phenylpropyl]propanamide
CID 135566841
3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide
CID 135636453
N-benzhydryl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135724863
N-(4-anilinophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137258775
N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137097401
2-(3,3-dimethyl-2-oxobutyl)-3H-quinazolin-4-one
CID 139894083
4-hydroxy-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide
CID 135767696
N-(1H-benzimidazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135830175
N-(5-methyl-1,3-thiazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135819555
N,N-dimethyl-4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]benzamide
CID 137300676
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135794841

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The IUPAC name of N-(2-methylbutan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide (CID 135522437) is N-(2-methylbutan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide is CCC(C)(C)NC(=O)CCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-(2-methylbutan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The InChIKey is DMPXQZLOBIYOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-16(2,3)19-14(20)10-9-13-17-12-8-6-5-7-11(12)15(21)18-13/h5-8H,4,9-10H2,1-3H3,(H,19,20)(H,17,18,21).
What are the key properties of N-(2-methylbutan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
N-(2-methylbutan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide has a molecular weight of 287.36 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide is sourced from PubChem (CID 135522437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).