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

C18H17ClN4O — CID 110437356

IUPACN-(3-chloro-4-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)c2ncnc3ccccc23)cc1Cl
InChIInChI=1S/C18H17ClN4O/c1-12-7-8-13(9-15(12)19)22-17(24)10-23(2)18-14-5-3-4-6-16(14)20-11-21-18/h3-9,11H,10H2,1-2H3,(H,22,24)
InChIKeyVWEDARFLTLTASI-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.67
Rot. Bonds4

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

N-(3-chloro-4-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide (PubChem CID 110437356) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
PubChem CID110437356
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)c2ncnc3ccccc23)cc1Cl
InChIInChI=1S/C18H17ClN4O/c1-12-7-8-13(9-15(12)19)22-17(24)10-23(2)18-14-5-3-4-6-16(14)20-11-21-18/h3-9,11H,10H2,1-2H3,(H,22,24)
InChIKeyVWEDARFLTLTASI-UHFFFAOYSA-N
XLogP3.67
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437347
N-(4-acetamidophenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437368
N-(3-acetylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437365
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-(3-amino-N-methylanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 166855505
(2R)-N-(3-chloro-4-methylphenyl)-2-phenyl-2-quinazolin-4-ylsulfanylacetamide
CID 2411275
N-(3-chloro-4-methylphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464468
N-(3-chloro-4-methoxyphenyl)-2-(quinazolin-4-ylamino)acetamide
CID 110437127
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110436403
2-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 113158419

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide (CID 110437356) is N-(3-chloro-4-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide is Cc1ccc(NC(=O)CN(C)c2ncnc3ccccc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide?
The InChIKey is VWEDARFLTLTASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-12-7-8-13(9-15(12)19)22-17(24)10-23(2)18-14-5-3-4-6-16(14)20-11-21-18/h3-9,11H,10H2,1-2H3,(H,22,24).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide?
N-(3-chloro-4-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide has a molecular weight of 340.81 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide is sourced from PubChem (CID 110437356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).