N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2,3-dimethoxybenzamide

C24H20ClN3O4 — CID 16830447

IUPACN-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc(-n3c(C)nc4ccccc4c3=O)ccc2Cl)c1OC
InChIInChI=1S/C24H20ClN3O4/c1-14-26-19-9-5-4-7-16(19)24(30)28(14)15-11-12-18(25)20(13-15)27-23(29)17-8-6-10-21(31-2)22(17)32-3/h4-13H,1-3H3,(H,27,29)
InChIKeyNDBSGWDGOAGMCW-UHFFFAOYSA-N
MW449.89 g/mol
LogP4.62
Rot. Bonds5

About N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2,3-dimethoxybenzamide

N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2,3-dimethoxybenzamide (PubChem CID 16830447) has the molecular formula C24H20ClN3O4 and a molecular weight of 449.89 g/mol. Its IUPAC name is N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2,3-dimethoxybenzamide
PubChem CID16830447
Molecular FormulaC24H20ClN3O4
Molecular Weight449.89 g/mol
Exact Mass449.11
IUPAC NameN-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc(-n3c(C)nc4ccccc4c3=O)ccc2Cl)c1OC
InChIInChI=1S/C24H20ClN3O4/c1-14-26-19-9-5-4-7-16(19)24(30)28(14)15-11-12-18(25)20(13-15)27-23(29)17-8-6-10-21(31-2)22(17)32-3/h4-13H,1-3H3,(H,27,29)
InChIKeyNDBSGWDGOAGMCW-UHFFFAOYSA-N
XLogP4.62
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.89
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41077192
2-bromo-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41077195
2,5-dichloro-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41077256
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-8-ethoxy-2-oxochromene-3-carboxamide
CID 41077262
3,4,5-trimethoxy-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 43988488
N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-methyl-3-nitrobenzamide
CID 43988521
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-ethoxybenzamide
CID 41077216
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 41077190
2,5-dichloro-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41027687
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]cyclopropanecarboxamide
CID 7593023
5-bromo-2-chloro-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41077291
4-butoxy-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41077206

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2,3-dimethoxybenzamide (CID 16830447) is N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)Nc2cc(-n3c(C)nc4ccccc4c3=O)ccc2Cl)c1OC.
What is the InChIKey of N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2,3-dimethoxybenzamide?
The InChIKey is NDBSGWDGOAGMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O4/c1-14-26-19-9-5-4-7-16(19)24(30)28(14)15-11-12-18(25)20(13-15)27-23(29)17-8-6-10-21(31-2)22(17)32-3/h4-13H,1-3H3,(H,27,29).
What are the key properties of N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2,3-dimethoxybenzamide?
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2,3-dimethoxybenzamide has a molecular weight of 449.89 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 16830447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).