N-(3-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide

C18H18N4O — CID 110437347

IUPACN-(3-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
SMILESCc1cccc(NC(=O)CN(C)c2ncnc3ccccc23)c1
InChIInChI=1S/C18H18N4O/c1-13-6-5-7-14(10-13)21-17(23)11-22(2)18-15-8-3-4-9-16(15)19-12-20-18/h3-10,12H,11H2,1-2H3,(H,21,23)
InChIKeySHYJENDGTDURHT-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.01
Rot. Bonds4

About N-(3-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide

N-(3-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide (PubChem CID 110437347) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
PubChem CID110437347
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-(3-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
SMILESCc1cccc(NC(=O)CN(C)c2ncnc3ccccc23)c1
InChIInChI=1S/C18H18N4O/c1-13-6-5-7-14(10-13)21-17(23)11-22(2)18-15-8-3-4-9-16(15)19-12-20-18/h3-10,12H,11H2,1-2H3,(H,21,23)
InChIKeySHYJENDGTDURHT-UHFFFAOYSA-N
XLogP3.01
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437365
N-(3-chloro-4-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437356
N-(4-tert-butylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437388
2-[methyl(quinazolin-4-yl)amino]-N-naphthalen-1-ylacetamide
CID 17455628
ethyl 2-[methyl(quinazolin-4-yl)amino]acetate
CID 62006339
2-[(6-bromoquinazolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 86946093
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110436403
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511
N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide
CID 2658590
2-(N-acetylanilino)-N-(3-methylphenyl)acetamide
CID 113167157
N-methyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 35553197
N-(3-methylphenyl)quinazolin-4-amine
CID 659954

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide (CID 110437347) is N-(3-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide is Cc1cccc(NC(=O)CN(C)c2ncnc3ccccc23)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide?
The InChIKey is SHYJENDGTDURHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13-6-5-7-14(10-13)21-17(23)11-22(2)18-15-8-3-4-9-16(15)19-12-20-18/h3-10,12H,11H2,1-2H3,(H,21,23).
What are the key properties of N-(3-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide?
N-(3-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide has a molecular weight of 306.37 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide is sourced from PubChem (CID 110437347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).