7-chloro-N,3-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide

C20H16ClN3O3 — CID 135767538

IUPAC7-chloro-N,3-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)oc2c(Cl)cccc12
InChIInChI=1S/C20H16ClN3O3/c1-11-12-7-5-8-14(21)18(12)27-17(11)20(26)24(2)10-16-22-15-9-4-3-6-13(15)19(25)23-16/h3-9H,10H2,1-2H3,(H,22,23,25)
InChIKeyZGNZFTXPJMNOFN-UHFFFAOYSA-N
MW381.82 g/mol
LogP3.90
Rot. Bonds3

About 7-chloro-N,3-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide

7-chloro-N,3-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 135767538) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is 7-chloro-N,3-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N,3-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide
PubChem CID135767538
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC Name7-chloro-N,3-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)oc2c(Cl)cccc12
InChIInChI=1S/C20H16ClN3O3/c1-11-12-7-5-8-14(21)18(12)27-17(11)20(26)24(2)10-16-22-15-9-4-3-6-13(15)19(25)23-16/h3-9H,10H2,1-2H3,(H,22,23,25)
InChIKeyZGNZFTXPJMNOFN-UHFFFAOYSA-N
XLogP3.90
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,3-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide
CID 135570319
3-chloro-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135570413
7-chloro-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 24542566
N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-3-carboxamide
CID 135941989
N-benzyl-5-chloro-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 135850139
N-methyl-2-naphthalen-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135690319
2-[[(2-chlorophenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135891137
7-chloro-N,3-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 46436436
N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 135899747
N,2,5-trimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide
CID 135877066
N-methyl-2-methylsulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135951735
4-chloro-N-methyl-2-nitro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135893643

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N,3-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-N,3-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide (CID 135767538) is 7-chloro-N,3-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-N,3-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-N,3-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)oc2c(Cl)cccc12.
What is the InChIKey of 7-chloro-N,3-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is ZGNZFTXPJMNOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c1-11-12-7-5-8-14(21)18(12)27-17(11)20(26)24(2)10-16-22-15-9-4-3-6-13(15)19(25)23-16/h3-9H,10H2,1-2H3,(H,22,23,25).
What are the key properties of 7-chloro-N,3-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide?
7-chloro-N,3-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 381.82 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N,3-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 135767538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).