N-[[6-[(E)-2-[3-(2-chlorophenyl)-6-fluoro-4-oxoquinazolin-2-yl]ethenyl]-2-pyridinyl]methyl]-N-methylacetamide

C25H20ClFN4O2 — CID 18363000

IUPACN-[[6-[(E)-2-[3-(2-chlorophenyl)-6-fluoro-4-oxoquinazolin-2-yl]ethenyl]-2-pyridinyl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1cccc(/C=C/c2nc3ccc(F)cc3c(=O)n2-c2ccccc2Cl)n1
InChIInChI=1S/C25H20ClFN4O2/c1-16(32)30(2)15-19-7-5-6-18(28-19)11-13-24-29-22-12-10-17(27)14-20(22)25(33)31(24)23-9-4-3-8-21(23)26/h3-14H,15H2,1-2H3/b13-11+
InChIKeyAKXZPZFHIFEBKI-ACCUITESSA-N
MW462.91 g/mol
LogP4.72
Rot. Bonds5

About N-[[6-[(E)-2-[3-(2-chlorophenyl)-6-fluoro-4-oxoquinazolin-2-yl]ethenyl]-2-pyridinyl]methyl]-N-methylacetamide

N-[[6-[(E)-2-[3-(2-chlorophenyl)-6-fluoro-4-oxoquinazolin-2-yl]ethenyl]-2-pyridinyl]methyl]-N-methylacetamide (PubChem CID 18363000) has the molecular formula C25H20ClFN4O2 and a molecular weight of 462.91 g/mol. Its IUPAC name is N-[[6-[(E)-2-[3-(2-chlorophenyl)-6-fluoro-4-oxoquinazolin-2-yl]ethenyl]-2-pyridinyl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[6-[(E)-2-[3-(2-chlorophenyl)-6-fluoro-4-oxoquinazolin-2-yl]ethenyl]-2-pyridinyl]methyl]-N-methylacetamide
PubChem CID18363000
Molecular FormulaC25H20ClFN4O2
Molecular Weight462.91 g/mol
Exact Mass462.13
IUPAC NameN-[[6-[(E)-2-[3-(2-chlorophenyl)-6-fluoro-4-oxoquinazolin-2-yl]ethenyl]-2-pyridinyl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1cccc(/C=C/c2nc3ccc(F)cc3c(=O)n2-c2ccccc2Cl)n1
InChIInChI=1S/C25H20ClFN4O2/c1-16(32)30(2)15-19-7-5-6-18(28-19)11-13-24-29-22-12-10-17(27)14-20(22)25(33)31(24)23-9-4-3-8-21(23)26/h3-14H,15H2,1-2H3/b13-11+
InChIKeyAKXZPZFHIFEBKI-ACCUITESSA-N
XLogP4.72
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.91
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[6-[(E)-2-[3-(2-chlorophenyl)-6-fluoro-4-oxoquinazolin-2-yl]ethenyl]-2-pyridinyl]methyl]-N-methylacetamide with MolForge

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Related Compounds

CP-465022
CID 9847219
3-(2-chlorophenyl)-2-[(E)-2-(pyridin-2-yl)ethenyl]quinazolin-4(3H)-one
CID 5769200
3-(2-chlorophenyl)-6-fluoro-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one
CID 9929636
N-(2,6-Dichloro-4-pyridinyl)-Na(2)-[[3-(4-fluorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl]methyl]urea
CID 9933837
3-(2-chlorophenyl)-6-fluoro-2-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]quinazolin-4-one
CID 17918602
3-(2-chlorophenyl)-2-[(E)-2-[6-(ethoxymethyl)-2-pyridinyl]ethenyl]-6-fluoroquinazolin-4-one
CID 18362971
6-chloro-3-(2-methylphenyl)-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one
CID 18362976
3-(2-chlorophenyl)-6-fluoro-2-[(E)-2-[6-[(propan-2-ylamino)methyl]-2-pyridinyl]ethenyl]quinazolin-4-one
CID 18362979
3-(2-chlorophenyl)-6-fluoro-2-[(E)-2-[6-(methylaminomethyl)-2-pyridinyl]ethenyl]quinazolin-4-one
CID 18362993
3-(2-chlorophenyl)-2-[(E)-2-[6-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-pyridinyl]ethenyl]-6-fluoroquinazolin-4-one
CID 18362997
3-(2-chlorophenyl)-2-[(E)-2-[6-[(dimethylamino)methyl]-2-pyridinyl]ethenyl]-6-fluoroquinazolin-4-one
CID 18363001
6-[2-[3-(2-Chlorophenyl)-4-oxo-6-fluoro-3,4-dihydroquinazoline-2-yl]ethenyl]-2-pyridinecarbonitrile
CID 18363004

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(E)-2-[3-(2-chlorophenyl)-6-fluoro-4-oxoquinazolin-2-yl]ethenyl]-2-pyridinyl]methyl]-N-methylacetamide?
The IUPAC name of N-[[6-[(E)-2-[3-(2-chlorophenyl)-6-fluoro-4-oxoquinazolin-2-yl]ethenyl]-2-pyridinyl]methyl]-N-methylacetamide (CID 18363000) is N-[[6-[(E)-2-[3-(2-chlorophenyl)-6-fluoro-4-oxoquinazolin-2-yl]ethenyl]-2-pyridinyl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[6-[(E)-2-[3-(2-chlorophenyl)-6-fluoro-4-oxoquinazolin-2-yl]ethenyl]-2-pyridinyl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[6-[(E)-2-[3-(2-chlorophenyl)-6-fluoro-4-oxoquinazolin-2-yl]ethenyl]-2-pyridinyl]methyl]-N-methylacetamide is CC(=O)N(C)Cc1cccc(/C=C/c2nc3ccc(F)cc3c(=O)n2-c2ccccc2Cl)n1.
What is the InChIKey of N-[[6-[(E)-2-[3-(2-chlorophenyl)-6-fluoro-4-oxoquinazolin-2-yl]ethenyl]-2-pyridinyl]methyl]-N-methylacetamide?
The InChIKey is AKXZPZFHIFEBKI-ACCUITESSA-N. The full InChI is InChI=1S/C25H20ClFN4O2/c1-16(32)30(2)15-19-7-5-6-18(28-19)11-13-24-29-22-12-10-17(27)14-20(22)25(33)31(24)23-9-4-3-8-21(23)26/h3-14H,15H2,1-2H3/b13-11+.
What are the key properties of N-[[6-[(E)-2-[3-(2-chlorophenyl)-6-fluoro-4-oxoquinazolin-2-yl]ethenyl]-2-pyridinyl]methyl]-N-methylacetamide?
N-[[6-[(E)-2-[3-(2-chlorophenyl)-6-fluoro-4-oxoquinazolin-2-yl]ethenyl]-2-pyridinyl]methyl]-N-methylacetamide has a molecular weight of 462.91 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(E)-2-[3-(2-chlorophenyl)-6-fluoro-4-oxoquinazolin-2-yl]ethenyl]-2-pyridinyl]methyl]-N-methylacetamide is sourced from PubChem (CID 18363000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).