3-methyl-N-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]butanamide

C21H24N4O — CID 42809222

IUPAC3-methyl-N-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]butanamide
SMILESCC(C)CC(=O)NCCNc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C21H24N4O/c1-15(2)14-19(26)22-12-13-23-21-17-10-6-7-11-18(17)24-20(25-21)16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyWMWLLJWGYJOCIN-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.87
Rot. Bonds7

About 3-methyl-N-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]butanamide

3-methyl-N-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]butanamide (PubChem CID 42809222) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-methyl-N-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]butanamide
PubChem CID42809222
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name3-methyl-N-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]butanamide
SMILESCC(C)CC(=O)NCCNc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C21H24N4O/c1-15(2)14-19(26)22-12-13-23-21-17-10-6-7-11-18(17)24-20(25-21)16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyWMWLLJWGYJOCIN-UHFFFAOYSA-N
XLogP3.87
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-N-propylquinazolin-4-amine
CID 10244508
2-[(2-phenylquinazolin-4-yl)amino]ethanol;hydrochloride
CID 2789481
2-[(2-phenylquinazolin-4-yl)amino]-N-prop-2-ynylacetamide
CID 133278092
N-[2-[(7-chloro-2-thiophen-2-ylquinazolin-4-yl)amino]ethyl]-3-methylbutanamide
CID 42809220
2-[(2-phenylquinazolin-4-yl)amino]acetate
CID 4053821
3-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 75485072
1-[4-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone
CID 60502729
3-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]propanoic acid
CID 7728857
N-propan-2-yl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]acetamide
CID 8567435
2-phenyl-N-propan-2-ylquinazolin-4-amine
CID 719252
N-[2-[(6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]acetamide
CID 10108600
4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 70932286

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]butanamide?
The IUPAC name of 3-methyl-N-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]butanamide (CID 42809222) is 3-methyl-N-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]butanamide?
The canonical SMILES for 3-methyl-N-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]butanamide is CC(C)CC(=O)NCCNc1nc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 3-methyl-N-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]butanamide?
The InChIKey is WMWLLJWGYJOCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15(2)14-19(26)22-12-13-23-21-17-10-6-7-11-18(17)24-20(25-21)16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,22,26)(H,23,24,25).
What are the key properties of 3-methyl-N-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]butanamide?
3-methyl-N-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]butanamide has a molecular weight of 348.45 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]butanamide is sourced from PubChem (CID 42809222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).