N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide

C22H24N4O3 — CID 135972244

IUPACN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C22H24N4O3/c1-15-10-12-16(13-11-15)23-20(27)14-26(2)21(28)9-5-8-19-24-18-7-4-3-6-17(18)22(29)25-19/h3-4,6-7,10-13H,5,8-9,14H2,1-2H3,(H,23,27)(H,24,25,29)
InChIKeyYCWBXOQYOJKOBK-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.65
Rot. Bonds7

About N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide (PubChem CID 135972244) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
PubChem CID135972244
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C22H24N4O3/c1-15-10-12-16(13-11-15)23-20(27)14-26(2)21(28)9-5-8-19-24-18-7-4-3-6-17(18)22(29)25-19/h3-4,6-7,10-13H,5,8-9,14H2,1-2H3,(H,23,27)(H,24,25,29)
InChIKeyYCWBXOQYOJKOBK-UHFFFAOYSA-N
XLogP2.65
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide with MolForge

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Related Compounds

N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135886771
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135738591
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135877243
N-methyl-4-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenoxyethyl)butanamide
CID 135976954
N-(4-anilinophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137258775
(2-anilino-2-oxoethyl) 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135782994
N-[6-(dimethylamino)-3-pyridinyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135570381
N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135848488
[2-(4-methoxyanilino)-2-oxoethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135782984
methyl 4-[[methyl-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]amino]methyl]benzoate
CID 135915704
N-(4-methoxyphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135836433
N-[(4-cyanophenyl)methyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137308282

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide (CID 135972244) is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The canonical SMILES for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide is Cc1ccc(NC(=O)CN(C)C(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The InChIKey is YCWBXOQYOJKOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-10-12-16(13-11-15)23-20(27)14-26(2)21(28)9-5-8-19-24-18-7-4-3-6-17(18)22(29)25-19/h3-4,6-7,10-13H,5,8-9,14H2,1-2H3,(H,23,27)(H,24,25,29).
What are the key properties of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide has a molecular weight of 392.46 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide is sourced from PubChem (CID 135972244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).