N-[4-[(8-methylquinazolin-2-yl)amino]phenyl]acetamide

C17H16N4O — CID 59615252

IUPACN-[4-[(8-methylquinazolin-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ncc3cccc(C)c3n2)cc1
InChIInChI=1S/C17H16N4O/c1-11-4-3-5-13-10-18-17(21-16(11)13)20-15-8-6-14(7-9-15)19-12(2)22/h3-10H,1-2H3,(H,19,22)(H,18,20,21)
InChIKeyUNZAILPSPXZZAL-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.64
Rot. Bonds3

About N-[4-[(8-methylquinazolin-2-yl)amino]phenyl]acetamide

N-[4-[(8-methylquinazolin-2-yl)amino]phenyl]acetamide (PubChem CID 59615252) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[4-[(8-methylquinazolin-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(8-methylquinazolin-2-yl)amino]phenyl]acetamide
PubChem CID59615252
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-[4-[(8-methylquinazolin-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ncc3cccc(C)c3n2)cc1
InChIInChI=1S/C17H16N4O/c1-11-4-3-5-13-10-18-17(21-16(11)13)20-15-8-6-14(7-9-15)19-12(2)22/h3-10H,1-2H3,(H,19,22)(H,18,20,21)
InChIKeyUNZAILPSPXZZAL-UHFFFAOYSA-N
XLogP3.64
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(8-methylquinazolin-2-yl)amino]benzoic acid
CID 150737082
N-methyl-4-[(8-methylquinazolin-2-yl)amino]-1H-pyrrole-2-carboxamide
CID 170037856
N-[4-[[4,6-bis(4-acetamidoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 11763127
N-(3-isocyanophenyl)-8-methylquinazolin-2-amine
CID 59615256
N-[4-(pyrimidin-2-ylamino)phenyl]acetamide
CID 123760459
N-[4-[[4-(4-acetamidoanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 159166665
ethyl N-[6-[(8-methylquinazolin-2-yl)amino]-1H-indol-4-yl]carbamate
CID 59615247
2-(4-acetamidoanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265724
2-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109315987
N-cyclopropyl-2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazole-4-carboxamide
CID 56961741
N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 138729673
N-(4-acetamidophenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109265432

Frequently Asked Questions

What is the IUPAC name of N-[4-[(8-methylquinazolin-2-yl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(8-methylquinazolin-2-yl)amino]phenyl]acetamide (CID 59615252) is N-[4-[(8-methylquinazolin-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(8-methylquinazolin-2-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(8-methylquinazolin-2-yl)amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2ncc3cccc(C)c3n2)cc1.
What is the InChIKey of N-[4-[(8-methylquinazolin-2-yl)amino]phenyl]acetamide?
The InChIKey is UNZAILPSPXZZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-11-4-3-5-13-10-18-17(21-16(11)13)20-15-8-6-14(7-9-15)19-12(2)22/h3-10H,1-2H3,(H,19,22)(H,18,20,21).
What are the key properties of N-[4-[(8-methylquinazolin-2-yl)amino]phenyl]acetamide?
N-[4-[(8-methylquinazolin-2-yl)amino]phenyl]acetamide has a molecular weight of 292.34 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(8-methylquinazolin-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 59615252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).