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

C18H18N4O — CID 11630903

IUPACN-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(C)c2nc(C)nc3ccccc23)cc1
InChIInChI=1S/C18H18N4O/c1-12-19-17-7-5-4-6-16(17)18(20-12)22(3)15-10-8-14(9-11-15)21-13(2)23/h4-11H,1-3H3,(H,21,23)
InChIKeyGLTWECXBFDRCHH-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.66
Rot. Bonds3

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

N-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]acetamide (PubChem CID 11630903) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]acetamide
PubChem CID11630903
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(C)c2nc(C)nc3ccccc23)cc1
InChIInChI=1S/C18H18N4O/c1-12-19-17-7-5-4-6-16(17)18(20-12)22(3)15-10-8-14(9-11-15)21-13(2)23/h4-11H,1-3H3,(H,21,23)
InChIKeyGLTWECXBFDRCHH-UHFFFAOYSA-N
XLogP3.66
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
2,4,6-Triaminoquinazoline
CID 292661
N-(4-((3-bromophenyl)amino)-6-quinazolinyl)-2-butynamide
CID 2776
Pd 168393
CID 4708
(2E)-N-(4-((3-bromophenyl)amino)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide
CID 5328969
N-(4-Phenylamino-quinazolin-6-YL)-acrylamide
CID 10401956
N-Benzylquinazolin-4-amine
CID 616573
NSC 23766 trihydrochloride
CID 16759159
Importazole
CID 2949965
N6-[2-[5-(diethylamino)pentan-2-ylamino]-6-methyl-4-pyrimidinyl]-2-methylquinoline-4,6-diamine
CID 409805
SB-408124
CID 4331799

Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]acetamide (CID 11630903) is N-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]acetamide is CC(=O)Nc1ccc(N(C)c2nc(C)nc3ccccc23)cc1.
What is the InChIKey of N-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]acetamide?
The InChIKey is GLTWECXBFDRCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-12-19-17-7-5-4-6-16(17)18(20-12)22(3)15-10-8-14(9-11-15)21-13(2)23/h4-11H,1-3H3,(H,21,23).
What are the key properties of N-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]acetamide?
N-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]acetamide has a molecular weight of 306.37 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]acetamide is sourced from PubChem (CID 11630903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).