N-(5-chloro-2-methoxyphenyl)-2-[(7-chloroquinazolin-4-yl)-methylamino]acetamide

C18H16Cl2N4O2 — CID 24507939

IUPACN-(5-chloro-2-methoxyphenyl)-2-[(7-chloroquinazolin-4-yl)-methylamino]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)c1ncnc2cc(Cl)ccc12
InChIInChI=1S/C18H16Cl2N4O2/c1-24(18-13-5-3-11(19)7-14(13)21-10-22-18)9-17(25)23-15-8-12(20)4-6-16(15)26-2/h3-8,10H,9H2,1-2H3,(H,23,25)
InChIKeyPVZYRHNTZMURHQ-UHFFFAOYSA-N
MW391.26 g/mol
LogP4.02
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-[(7-chloroquinazolin-4-yl)-methylamino]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[(7-chloroquinazolin-4-yl)-methylamino]acetamide (PubChem CID 24507939) has the molecular formula C18H16Cl2N4O2 and a molecular weight of 391.26 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[(7-chloroquinazolin-4-yl)-methylamino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[(7-chloroquinazolin-4-yl)-methylamino]acetamide
PubChem CID24507939
Molecular FormulaC18H16Cl2N4O2
Molecular Weight391.26 g/mol
Exact Mass390.07
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[(7-chloroquinazolin-4-yl)-methylamino]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)c1ncnc2cc(Cl)ccc12
InChIInChI=1S/C18H16Cl2N4O2/c1-24(18-13-5-3-11(19)7-14(13)21-10-22-18)9-17(25)23-15-8-12(20)4-6-16(15)26-2/h3-8,10H,9H2,1-2H3,(H,23,25)
InChIKeyPVZYRHNTZMURHQ-UHFFFAOYSA-N
XLogP4.02
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.26
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 2498077
N-(5-chloro-2-methoxyphenyl)-2-[methyl-(5-methylquinazolin-4-yl)amino]acetamide
CID 133345243
2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113158224
N-(5-chloro-2-methoxyphenyl)-2-(3,4-difluoro-N-methylanilino)acetamide
CID 60573040
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 9222334
2-[2-aminoethyl(methyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 62686650
N-(5-chloro-2-methoxyphenyl)-2-[methyl-[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]acetamide
CID 7873296
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
5,6-dichloro-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 55329725
N-(5-chloro-2-methoxyphenyl)-2-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-methylamino]acetamide
CID 133352469
2-[(2-amino-2-methylpropyl)-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 120847420
N-(5-chloro-2-methoxyphenyl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 17462179

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(7-chloroquinazolin-4-yl)-methylamino]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(7-chloroquinazolin-4-yl)-methylamino]acetamide (CID 24507939) is N-(5-chloro-2-methoxyphenyl)-2-[(7-chloroquinazolin-4-yl)-methylamino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[(7-chloroquinazolin-4-yl)-methylamino]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[(7-chloroquinazolin-4-yl)-methylamino]acetamide is COc1ccc(Cl)cc1NC(=O)CN(C)c1ncnc2cc(Cl)ccc12.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[(7-chloroquinazolin-4-yl)-methylamino]acetamide?
The InChIKey is PVZYRHNTZMURHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O2/c1-24(18-13-5-3-11(19)7-14(13)21-10-22-18)9-17(25)23-15-8-12(20)4-6-16(15)26-2/h3-8,10H,9H2,1-2H3,(H,23,25).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[(7-chloroquinazolin-4-yl)-methylamino]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[(7-chloroquinazolin-4-yl)-methylamino]acetamide has a molecular weight of 391.26 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[(7-chloroquinazolin-4-yl)-methylamino]acetamide is sourced from PubChem (CID 24507939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).