N-methyl-4-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenoxyethyl)butanamide

C21H23N3O3 — CID 135976954

IUPACN-methyl-4-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenoxyethyl)butanamide
SMILESCN(CCOc1ccccc1)C(=O)CCCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C21H23N3O3/c1-24(14-15-27-16-8-3-2-4-9-16)20(25)13-7-12-19-22-18-11-6-5-10-17(18)21(26)23-19/h2-6,8-11H,7,12-15H2,1H3,(H,22,23,26)
InChIKeyMSWTXCKUAIYBHW-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.78
Rot. Bonds8

About N-methyl-4-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenoxyethyl)butanamide

N-methyl-4-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenoxyethyl)butanamide (PubChem CID 135976954) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-methyl-4-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenoxyethyl)butanamide.

Molecular Properties

Compound NameN-methyl-4-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenoxyethyl)butanamide
PubChem CID135976954
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-methyl-4-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenoxyethyl)butanamide
SMILESCN(CCOc1ccccc1)C(=O)CCCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C21H23N3O3/c1-24(14-15-27-16-8-3-2-4-9-16)20(25)13-7-12-19-22-18-11-6-5-10-17(18)21(26)23-19/h2-6,8-11H,7,12-15H2,1H3,(H,22,23,26)
InChIKeyMSWTXCKUAIYBHW-UHFFFAOYSA-N
XLogP2.78
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137288392
N-[(4-cyanophenyl)methyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137308282
methyl 4-[[methyl-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]amino]methyl]benzoate
CID 135915704
4-(4-chloro-3-methylphenoxy)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide
CID 135877048
N-[(2,4-difluorophenyl)methyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137278099
N-(1-aminopropan-2-yl)-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137122484
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135972244
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135886771
2-propan-2-yloxyethyl 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 137300073
4-(4-oxo-3H-quinazolin-2-yl)-N,N-bis(prop-2-enyl)butanamide
CID 137306035
5-hydroxy-N-methyl-N-(2-phenoxyethyl)pentanamide
CID 79199692
2-[2-methylpropyl-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]amino]acetic acid
CID 136990420

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenoxyethyl)butanamide?
The IUPAC name of N-methyl-4-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenoxyethyl)butanamide (CID 135976954) is N-methyl-4-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenoxyethyl)butanamide.
What is the SMILES notation for N-methyl-4-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenoxyethyl)butanamide?
The canonical SMILES for N-methyl-4-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenoxyethyl)butanamide is CN(CCOc1ccccc1)C(=O)CCCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-methyl-4-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenoxyethyl)butanamide?
The InChIKey is MSWTXCKUAIYBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-24(14-15-27-16-8-3-2-4-9-16)20(25)13-7-12-19-22-18-11-6-5-10-17(18)21(26)23-19/h2-6,8-11H,7,12-15H2,1H3,(H,22,23,26).
What are the key properties of N-methyl-4-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenoxyethyl)butanamide?
N-methyl-4-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenoxyethyl)butanamide has a molecular weight of 365.43 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenoxyethyl)butanamide is sourced from PubChem (CID 135976954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).