2-[[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]methyl]-3-methylbutanamide

C26H25ClFN5O5S — CID 147298205

IUPAC2-[[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]methyl]-3-methylbutanamide
SMILESCOc1ncc(-c2ccc3ncn(CC(C(N)=O)C(C)C)c(=O)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C26H25ClFN5O5S/c1-14(2)19(24(29)34)12-33-13-31-21-6-4-15(8-18(21)26(33)35)16-9-22(25(38-3)30-11-16)32-39(36,37)23-7-5-17(28)10-20(23)27/h4-11,13-14,19,32H,12H2,1-3H3,(H2,29,34)
InChIKeyCVNUJSWKGASMRY-UHFFFAOYSA-N
MW574.03 g/mol
LogP3.82
Rot. Bonds9

About 2-[[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]methyl]-3-methylbutanamide

2-[[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]methyl]-3-methylbutanamide (PubChem CID 147298205) has the molecular formula C26H25ClFN5O5S and a molecular weight of 574.03 g/mol. Its IUPAC name is 2-[[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]methyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-[[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]methyl]-3-methylbutanamide
PubChem CID147298205
Molecular FormulaC26H25ClFN5O5S
Molecular Weight574.03 g/mol
Exact Mass573.12
IUPAC Name2-[[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]methyl]-3-methylbutanamide
SMILESCOc1ncc(-c2ccc3ncn(CC(C(N)=O)C(C)C)c(=O)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C26H25ClFN5O5S/c1-14(2)19(24(29)34)12-33-13-31-21-6-4-15(8-18(21)26(33)35)16-9-22(25(38-3)30-11-16)32-39(36,37)23-7-5-17(28)10-20(23)27/h4-11,13-14,19,32H,12H2,1-3H3,(H2,29,34)
InChIKeyCVNUJSWKGASMRY-UHFFFAOYSA-N
XLogP3.82
TPSA146.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.03
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]methyl]-3-methylbutanamide with MolForge

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Launch Full Analysis

Related Compounds

N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 57404800
N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2-methylbenzenesulfonamide
CID 57404801
N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-4-cyanobenzenesulfonamide
CID 57405149
N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide
CID 57405485
N-[5-(2-amino-4-oxo-3-phenyl-quinazolin-6-yl)-2-methoxy-3-pyridyl]-2,4-difluoro-benzenesulfonamide
CID 57406164
(2R)-3-[6-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
CID 148470662
2,4-difluoro-N-[5-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-2-(methoxymethyl)-3-pyridinyl]benzenesulfonamide
CID 132537543
N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-3-methylbenzenesulfonamide
CID 57404804
N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]methanesulfonamide
CID 57405314
5-(2-amino-4-oxo-3-(2-(trifluoromethyl)phenyl)-3,4-dihydroquinazolin-6-yl)-N-(2,4-difluorophenyl)-2-methoxypyridine-3-sulfonamide
CID 57406702
2,4-difluoro-N-[2-(methyloxy)-5-(4-oxo-3-phenyl-3,4-dihydro-6-quinazolinyl)-3-pyridinyl]benzenesulfonamide
CID 59613739
5-[2-amino-4-oxo-3-(2-propan-2-ylphenyl)quinazolin-6-yl]-N-(2,4-difluorophenyl)-2-methoxypyridine-3-sulfonamide
CID 67981475

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]methyl]-3-methylbutanamide?
The IUPAC name of 2-[[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]methyl]-3-methylbutanamide (CID 147298205) is 2-[[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]methyl]-3-methylbutanamide.
What is the SMILES notation for 2-[[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]methyl]-3-methylbutanamide?
The canonical SMILES for 2-[[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]methyl]-3-methylbutanamide is COc1ncc(-c2ccc3ncn(CC(C(N)=O)C(C)C)c(=O)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-[[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]methyl]-3-methylbutanamide?
The InChIKey is CVNUJSWKGASMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClFN5O5S/c1-14(2)19(24(29)34)12-33-13-31-21-6-4-15(8-18(21)26(33)35)16-9-22(25(38-3)30-11-16)32-39(36,37)23-7-5-17(28)10-20(23)27/h4-11,13-14,19,32H,12H2,1-3H3,(H2,29,34).
What are the key properties of 2-[[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]methyl]-3-methylbutanamide?
2-[[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]methyl]-3-methylbutanamide has a molecular weight of 574.03 g/mol, XLogP of 3.82, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]methyl]-3-methylbutanamide is sourced from PubChem (CID 147298205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).