1-[(2-chloro-6-fluorophenyl)methyl]-N-[(6-fluoro-1-benzofuran-2-yl)methyl]-3-methyl-2-oxo-4H-quinazoline-7-carboxamide

C26H20ClF2N3O3 — CID 146546827

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-N-[(6-fluoro-1-benzofuran-2-yl)methyl]-3-methyl-2-oxo-4H-quinazoline-7-carboxamide
SMILESCN1Cc2ccc(C(=O)NCc3cc4ccc(F)cc4o3)cc2N(Cc2c(F)cccc2Cl)C1=O
InChIInChI=1S/C26H20ClF2N3O3/c1-31-13-17-6-5-16(25(33)30-12-19-9-15-7-8-18(28)11-24(15)35-19)10-23(17)32(26(31)34)14-20-21(27)3-2-4-22(20)29/h2-11H,12-14H2,1H3,(H,30,33)
InChIKeyOUCWLCOCPCAIRK-UHFFFAOYSA-N
MW495.91 g/mol
LogP5.87
Rot. Bonds5

About 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(6-fluoro-1-benzofuran-2-yl)methyl]-3-methyl-2-oxo-4H-quinazoline-7-carboxamide

1-[(2-chloro-6-fluorophenyl)methyl]-N-[(6-fluoro-1-benzofuran-2-yl)methyl]-3-methyl-2-oxo-4H-quinazoline-7-carboxamide (PubChem CID 146546827) has the molecular formula C26H20ClF2N3O3 and a molecular weight of 495.91 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(6-fluoro-1-benzofuran-2-yl)methyl]-3-methyl-2-oxo-4H-quinazoline-7-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-N-[(6-fluoro-1-benzofuran-2-yl)methyl]-3-methyl-2-oxo-4H-quinazoline-7-carboxamide
PubChem CID146546827
Molecular FormulaC26H20ClF2N3O3
Molecular Weight495.91 g/mol
Exact Mass495.12
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-N-[(6-fluoro-1-benzofuran-2-yl)methyl]-3-methyl-2-oxo-4H-quinazoline-7-carboxamide
SMILESCN1Cc2ccc(C(=O)NCc3cc4ccc(F)cc4o3)cc2N(Cc2c(F)cccc2Cl)C1=O
InChIInChI=1S/C26H20ClF2N3O3/c1-31-13-17-6-5-16(25(33)30-12-19-9-15-7-8-18(28)11-24(15)35-19)10-23(17)32(26(31)34)14-20-21(27)3-2-4-22(20)29/h2-11H,12-14H2,1H3,(H,30,33)
InChIKeyOUCWLCOCPCAIRK-UHFFFAOYSA-N
XLogP5.87
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.91
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-N-[(5-nitro-1-benzofuran-2-yl)methyl]-2-oxo-4H-quinazoline-7-carboxamide
CID 146546981
1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-N-[[3-(1-methylpyrazol-3-yl)phenyl]methyl]-2-oxo-4H-quinazoline-7-carboxamide
CID 146546829
1-[(2-chloro-6-fluorophenyl)methyl]-N-[(5-hydroxy-1-benzofuran-2-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide
CID 146592698
1-[(2-chloro-6-fluorophenyl)methyl]-N-[(5-fluoro-1-benzofuran-2-yl)methyl]-4-iodo-3,3-dimethyl-2-oxoindole-6-carboxamide
CID 137367694
(4S)-1-[(2-chloro-6-fluorophenyl)methyl]-N-[(2-fluoro-6-hydroxyphenyl)methyl]-3,4-dimethyl-2-oxo-4H-quinazoline-7-carboxamide
CID 146546906
[2-[[[1-[(2-chloro-6-fluorophenyl)methyl]-3,4-dimethyl-2-oxo-4H-quinazoline-7-carbonyl]amino]methyl]-3-fluorophenyl] dihydrogen phosphate
CID 146546792
3-chloro-1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
CID 142502443
1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide
CID 142502806
N-(1-benzofuran-4-ylmethyl)-1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide
CID 146592741
N-(1-benzofuran-2-ylmethyl)-4-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-oxopyrido[3,2-b][1,4]thiazine-6-carboxamide
CID 146579302
1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxoindole-6-carboxamide
CID 142502538
1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-oxoindole-6-carboxamide
CID 146592690

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(6-fluoro-1-benzofuran-2-yl)methyl]-3-methyl-2-oxo-4H-quinazoline-7-carboxamide?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(6-fluoro-1-benzofuran-2-yl)methyl]-3-methyl-2-oxo-4H-quinazoline-7-carboxamide (CID 146546827) is 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(6-fluoro-1-benzofuran-2-yl)methyl]-3-methyl-2-oxo-4H-quinazoline-7-carboxamide.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(6-fluoro-1-benzofuran-2-yl)methyl]-3-methyl-2-oxo-4H-quinazoline-7-carboxamide?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(6-fluoro-1-benzofuran-2-yl)methyl]-3-methyl-2-oxo-4H-quinazoline-7-carboxamide is CN1Cc2ccc(C(=O)NCc3cc4ccc(F)cc4o3)cc2N(Cc2c(F)cccc2Cl)C1=O.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(6-fluoro-1-benzofuran-2-yl)methyl]-3-methyl-2-oxo-4H-quinazoline-7-carboxamide?
The InChIKey is OUCWLCOCPCAIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClF2N3O3/c1-31-13-17-6-5-16(25(33)30-12-19-9-15-7-8-18(28)11-24(15)35-19)10-23(17)32(26(31)34)14-20-21(27)3-2-4-22(20)29/h2-11H,12-14H2,1H3,(H,30,33).
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(6-fluoro-1-benzofuran-2-yl)methyl]-3-methyl-2-oxo-4H-quinazoline-7-carboxamide?
1-[(2-chloro-6-fluorophenyl)methyl]-N-[(6-fluoro-1-benzofuran-2-yl)methyl]-3-methyl-2-oxo-4H-quinazoline-7-carboxamide has a molecular weight of 495.91 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(6-fluoro-1-benzofuran-2-yl)methyl]-3-methyl-2-oxo-4H-quinazoline-7-carboxamide is sourced from PubChem (CID 146546827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).