(2R)-3-[6-[5-[(5-fluoro-2-methylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide

C26H26FN5O5S — CID 147547884

IUPAC(2R)-3-[6-[5-[(5-fluoro-2-methylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
SMILESCNC(=O)[C@H](C)Cn1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4cc(F)ccc4C)c3)cc2c1=O
InChIInChI=1S/C26H26FN5O5S/c1-15-5-7-19(27)11-23(15)38(35,36)31-22-10-18(12-29-25(22)37-4)17-6-8-21-20(9-17)26(34)32(14-30-21)13-16(2)24(33)28-3/h5-12,14,16,31H,13H2,1-4H3,(H,28,33)/t16-/m1/s1
InChIKeyFQEOTCWNYQUVLO-MRXNPFEDSA-N
MW539.59 g/mol
LogP3.10
Rot. Bonds8

About (2R)-3-[6-[5-[(5-fluoro-2-methylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide

(2R)-3-[6-[5-[(5-fluoro-2-methylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide (PubChem CID 147547884) has the molecular formula C26H26FN5O5S and a molecular weight of 539.59 g/mol. Its IUPAC name is (2R)-3-[6-[5-[(5-fluoro-2-methylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name(2R)-3-[6-[5-[(5-fluoro-2-methylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
PubChem CID147547884
Molecular FormulaC26H26FN5O5S
Molecular Weight539.59 g/mol
Exact Mass539.16
IUPAC Name(2R)-3-[6-[5-[(5-fluoro-2-methylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
SMILESCNC(=O)[C@H](C)Cn1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4cc(F)ccc4C)c3)cc2c1=O
InChIInChI=1S/C26H26FN5O5S/c1-15-5-7-19(27)11-23(15)38(35,36)31-22-10-18(12-29-25(22)37-4)17-6-8-21-20(9-17)26(34)32(14-30-21)13-16(2)24(33)28-3/h5-12,14,16,31H,13H2,1-4H3,(H,28,33)/t16-/m1/s1
InChIKeyFQEOTCWNYQUVLO-MRXNPFEDSA-N
XLogP3.10
TPSA132.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.59
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2R)-3-[6-[5-[(5-fluoro-2-methylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[6-[5-[(5-fluoro-2-methylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?
The IUPAC name of (2R)-3-[6-[5-[(5-fluoro-2-methylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide (CID 147547884) is (2R)-3-[6-[5-[(5-fluoro-2-methylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide.
What is the SMILES notation for (2R)-3-[6-[5-[(5-fluoro-2-methylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?
The canonical SMILES for (2R)-3-[6-[5-[(5-fluoro-2-methylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide is CNC(=O)[C@H](C)Cn1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4cc(F)ccc4C)c3)cc2c1=O.
What is the InChIKey of (2R)-3-[6-[5-[(5-fluoro-2-methylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?
The InChIKey is FQEOTCWNYQUVLO-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H26FN5O5S/c1-15-5-7-19(27)11-23(15)38(35,36)31-22-10-18(12-29-25(22)37-4)17-6-8-21-20(9-17)26(34)32(14-30-21)13-16(2)24(33)28-3/h5-12,14,16,31H,13H2,1-4H3,(H,28,33)/t16-/m1/s1.
What are the key properties of (2R)-3-[6-[5-[(5-fluoro-2-methylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?
(2R)-3-[6-[5-[(5-fluoro-2-methylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide has a molecular weight of 539.59 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[6-[5-[(5-fluoro-2-methylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide is sourced from PubChem (CID 147547884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).