N-tert-butyl-4-(2-methyl-4-oxoquinazolin-3-yl)butanamide

C17H23N3O2 — CID 54672499

IUPACN-tert-butyl-4-(2-methyl-4-oxoquinazolin-3-yl)butanamide
SMILESCc1nc2ccccc2c(=O)n1CCCC(=O)NC(C)(C)C
InChIInChI=1S/C17H23N3O2/c1-12-18-14-9-6-5-8-13(14)16(22)20(12)11-7-10-15(21)19-17(2,3)4/h5-6,8-9H,7,10-11H2,1-4H3,(H,19,21)
InChIKeyPMXSQCNAKMGNAA-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.40
Rot. Bonds4

About N-tert-butyl-4-(2-methyl-4-oxoquinazolin-3-yl)butanamide

N-tert-butyl-4-(2-methyl-4-oxoquinazolin-3-yl)butanamide (PubChem CID 54672499) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-tert-butyl-4-(2-methyl-4-oxoquinazolin-3-yl)butanamide.

Molecular Properties

Compound NameN-tert-butyl-4-(2-methyl-4-oxoquinazolin-3-yl)butanamide
PubChem CID54672499
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-tert-butyl-4-(2-methyl-4-oxoquinazolin-3-yl)butanamide
SMILESCc1nc2ccccc2c(=O)n1CCCC(=O)NC(C)(C)C
InChIInChI=1S/C17H23N3O2/c1-12-18-14-9-6-5-8-13(14)16(22)20(12)11-7-10-15(21)19-17(2,3)4/h5-6,8-9H,7,10-11H2,1-4H3,(H,19,21)
InChIKeyPMXSQCNAKMGNAA-UHFFFAOYSA-N
XLogP2.40
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-phenylphenyl)phenyl]butanamide
CID 167956083
methyl 8-[4-(2-methyl-4-oxoquinazolin-3-yl)butanoylamino]octanoate
CID 71851736
2-methyl-3-[3-(methylamino)propyl]quinazolin-4-one
CID 30370658
N-tert-butyl-4-(2,5-dimethylpyrrol-1-yl)butanamide
CID 3066543
N-tert-butyl-2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 9375437
N-tert-butyl-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide
CID 2696280
2-(2-methyl-4-oxoquinazolin-3-yl)acetate
CID 6971388
2-methyl-2-[4-[3-(2-methyl-4-oxoquinazolin-3-yl)propoxy]phenyl]sulfanylpropanoic acid
CID 59723825
N-(2-methyl-4-oxoquinazolin-3-yl)hexanamide
CID 5090042
(3S)-1-[4-(2-methyl-4-oxoquinazolin-3-yl)butanoyl]pyrrolidine-3-carboxamide
CID 94512727
2-methyl-3-(3-piperidin-4-ylpropyl)quinazolin-4-one
CID 20717835
3-(2-methyl-4-oxoquinazolin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide
CID 37126887

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2-methyl-4-oxoquinazolin-3-yl)butanamide?
The IUPAC name of N-tert-butyl-4-(2-methyl-4-oxoquinazolin-3-yl)butanamide (CID 54672499) is N-tert-butyl-4-(2-methyl-4-oxoquinazolin-3-yl)butanamide.
What is the SMILES notation for N-tert-butyl-4-(2-methyl-4-oxoquinazolin-3-yl)butanamide?
The canonical SMILES for N-tert-butyl-4-(2-methyl-4-oxoquinazolin-3-yl)butanamide is Cc1nc2ccccc2c(=O)n1CCCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-(2-methyl-4-oxoquinazolin-3-yl)butanamide?
The InChIKey is PMXSQCNAKMGNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12-18-14-9-6-5-8-13(14)16(22)20(12)11-7-10-15(21)19-17(2,3)4/h5-6,8-9H,7,10-11H2,1-4H3,(H,19,21).
What are the key properties of N-tert-butyl-4-(2-methyl-4-oxoquinazolin-3-yl)butanamide?
N-tert-butyl-4-(2-methyl-4-oxoquinazolin-3-yl)butanamide has a molecular weight of 301.39 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2-methyl-4-oxoquinazolin-3-yl)butanamide is sourced from PubChem (CID 54672499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).