4-(4-oxo-3H-quinazolin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]butanamide

C22H25N3O2 — CID 137285634

IUPAC4-(4-oxo-3H-quinazolin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]butanamide
SMILESCc1cc(C)c(CNC(=O)CCCc2nc3ccccc3c(=O)[nH]2)c(C)c1
InChIInChI=1S/C22H25N3O2/c1-14-11-15(2)18(16(3)12-14)13-23-21(26)10-6-9-20-24-19-8-5-4-7-17(19)22(27)25-20/h4-5,7-8,11-12H,6,9-10,13H2,1-3H3,(H,23,26)(H,24,25,27)
InChIKeyYSAVYTBBCZFQDH-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.49
Rot. Bonds6

About 4-(4-oxo-3H-quinazolin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]butanamide

4-(4-oxo-3H-quinazolin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]butanamide (PubChem CID 137285634) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-(4-oxo-3H-quinazolin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(4-oxo-3H-quinazolin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]butanamide
PubChem CID137285634
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name4-(4-oxo-3H-quinazolin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]butanamide
SMILESCc1cc(C)c(CNC(=O)CCCc2nc3ccccc3c(=O)[nH]2)c(C)c1
InChIInChI=1S/C22H25N3O2/c1-14-11-15(2)18(16(3)12-14)13-23-21(26)10-6-9-20-24-19-8-5-4-7-17(19)22(27)25-20/h4-5,7-8,11-12H,6,9-10,13H2,1-3H3,(H,23,26)(H,24,25,27)
InChIKeyYSAVYTBBCZFQDH-UHFFFAOYSA-N
XLogP3.49
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(4-oxo-3H-quinazolin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]butanamide with MolForge

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Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137282586
N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135848488
N-[(3-methoxyphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135927606
N-(3-aminopropyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide;hydrochloride
CID 137098154
N-[(2,4-dimethoxyphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137303370
N-(2-methoxy-2-phenylethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137303290
N-[[4-(difluoromethoxy)phenyl]methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137306027
N-[(2S)-1-aminopropan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137024790
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137292591
N-[3-(N-ethylanilino)propyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137279481
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831902
4-(4-oxo-3H-quinazolin-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide
CID 135675737

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxo-3H-quinazolin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]butanamide?
The IUPAC name of 4-(4-oxo-3H-quinazolin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]butanamide (CID 137285634) is 4-(4-oxo-3H-quinazolin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]butanamide.
What is the SMILES notation for 4-(4-oxo-3H-quinazolin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]butanamide?
The canonical SMILES for 4-(4-oxo-3H-quinazolin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]butanamide is Cc1cc(C)c(CNC(=O)CCCc2nc3ccccc3c(=O)[nH]2)c(C)c1.
What is the InChIKey of 4-(4-oxo-3H-quinazolin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]butanamide?
The InChIKey is YSAVYTBBCZFQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-14-11-15(2)18(16(3)12-14)13-23-21(26)10-6-9-20-24-19-8-5-4-7-17(19)22(27)25-20/h4-5,7-8,11-12H,6,9-10,13H2,1-3H3,(H,23,26)(H,24,25,27).
What are the key properties of 4-(4-oxo-3H-quinazolin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]butanamide?
4-(4-oxo-3H-quinazolin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]butanamide has a molecular weight of 363.46 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxo-3H-quinazolin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]butanamide is sourced from PubChem (CID 137285634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).