N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]acetamide

C19H20N4O3 — CID 90667704

IUPACN-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]acetamide
SMILESCOc1cc2ncnc(Nc3ccc(NC(C)=O)c(C)c3)c2cc1OC
InChIInChI=1S/C19H20N4O3/c1-11-7-13(5-6-15(11)22-12(2)24)23-19-14-8-17(25-3)18(26-4)9-16(14)20-10-21-19/h5-10H,1-4H3,(H,22,24)(H,20,21,23)
InChIKeyWHVPFYPTUQJKGH-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.66
Rot. Bonds5

About N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]acetamide

N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]acetamide (PubChem CID 90667704) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]acetamide
PubChem CID90667704
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]acetamide
SMILESCOc1cc2ncnc(Nc3ccc(NC(C)=O)c(C)c3)c2cc1OC
InChIInChI=1S/C19H20N4O3/c1-11-7-13(5-6-15(11)22-12(2)24)23-19-14-8-17(25-3)18(26-4)9-16(14)20-10-21-19/h5-10H,1-4H3,(H,22,24)(H,20,21,23)
InChIKeyWHVPFYPTUQJKGH-UHFFFAOYSA-N
XLogP3.66
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]carbamate
CID 56954133
4-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenoxy]benzoic acid
CID 69053494
ethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 54587267
tert-butyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 171419898
1-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-3-methylphenyl]-3,3-dimethylbutane-1,2-dione
CID 170967416
N-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]acetamide
CID 129010594
4-(4-fluoro-3-methylanilino)-6-methoxyquinazolin-7-ol
CID 137185960
[5-[[6-methoxy-7-(pyridin-4-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenyl] acetate
CID 11037387
6,7-dimethoxy-N-(2-methyl-4-propan-2-ylphenyl)quinazolin-4-amine;ethane
CID 170967439
N-[4-(3-bromoanilino)-7-methylquinazolin-6-yl]acetamide
CID 143862897
N-(4-fluoro-3-methylphenyl)-7-methoxy-6-(2-methylpropoxy)quinazolin-4-amine
CID 165053338
2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-phenylbenzamide
CID 18967578

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]acetamide?
The IUPAC name of N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]acetamide (CID 90667704) is N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]acetamide?
The canonical SMILES for N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]acetamide is COc1cc2ncnc(Nc3ccc(NC(C)=O)c(C)c3)c2cc1OC.
What is the InChIKey of N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]acetamide?
The InChIKey is WHVPFYPTUQJKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-11-7-13(5-6-15(11)22-12(2)24)23-19-14-8-17(25-3)18(26-4)9-16(14)20-10-21-19/h5-10H,1-4H3,(H,22,24)(H,20,21,23).
What are the key properties of N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]acetamide?
N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]acetamide has a molecular weight of 352.39 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]acetamide is sourced from PubChem (CID 90667704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).