4,6-dichloro-N-[8-fluoro-2-methyl-3-[(1-methylindazol-3-yl)methyl]-4-oxoquinazolin-5-yl]-5-hydroxypyridine-2-carboxamide

C24H17Cl2FN6O3 — CID 163301195

IUPAC4,6-dichloro-N-[8-fluoro-2-methyl-3-[(1-methylindazol-3-yl)methyl]-4-oxoquinazolin-5-yl]-5-hydroxypyridine-2-carboxamide
SMILESCc1nc2c(F)ccc(NC(=O)c3cc(Cl)c(O)c(Cl)n3)c2c(=O)n1Cc1nn(C)c2ccccc12
InChIInChI=1S/C24H17Cl2FN6O3/c1-11-28-20-14(27)7-8-15(30-23(35)16-9-13(25)21(34)22(26)29-16)19(20)24(36)33(11)10-17-12-5-3-4-6-18(12)32(2)31-17/h3-9,34H,10H2,1-2H3,(H,30,35)
InChIKeyGFXZXXYHYTVLEI-UHFFFAOYSA-N
MW527.34 g/mol
LogP4.44
Rot. Bonds4

About 4,6-dichloro-N-[8-fluoro-2-methyl-3-[(1-methylindazol-3-yl)methyl]-4-oxoquinazolin-5-yl]-5-hydroxypyridine-2-carboxamide

4,6-dichloro-N-[8-fluoro-2-methyl-3-[(1-methylindazol-3-yl)methyl]-4-oxoquinazolin-5-yl]-5-hydroxypyridine-2-carboxamide (PubChem CID 163301195) has the molecular formula C24H17Cl2FN6O3 and a molecular weight of 527.34 g/mol. Its IUPAC name is 4,6-dichloro-N-[8-fluoro-2-methyl-3-[(1-methylindazol-3-yl)methyl]-4-oxoquinazolin-5-yl]-5-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound Name4,6-dichloro-N-[8-fluoro-2-methyl-3-[(1-methylindazol-3-yl)methyl]-4-oxoquinazolin-5-yl]-5-hydroxypyridine-2-carboxamide
PubChem CID163301195
Molecular FormulaC24H17Cl2FN6O3
Molecular Weight527.34 g/mol
Exact Mass526.07
IUPAC Name4,6-dichloro-N-[8-fluoro-2-methyl-3-[(1-methylindazol-3-yl)methyl]-4-oxoquinazolin-5-yl]-5-hydroxypyridine-2-carboxamide
SMILESCc1nc2c(F)ccc(NC(=O)c3cc(Cl)c(O)c(Cl)n3)c2c(=O)n1Cc1nn(C)c2ccccc12
InChIInChI=1S/C24H17Cl2FN6O3/c1-11-28-20-14(27)7-8-15(30-23(35)16-9-13(25)21(34)22(26)29-16)19(20)24(36)33(11)10-17-12-5-3-4-6-18(12)32(2)31-17/h3-9,34H,10H2,1-2H3,(H,30,35)
InChIKeyGFXZXXYHYTVLEI-UHFFFAOYSA-N
XLogP4.44
TPSA114.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.34
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4,6-dichloro-N-[8-fluoro-2-methyl-3-[(1-methylindazol-3-yl)methyl]-4-oxoquinazolin-5-yl]-5-hydroxypyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4,6-dichloro-N-[3-[(3-chloro-2-pyridinyl)methyl]-2,8-dimethyl-4-oxoquinazolin-5-yl]-5-hydroxypyridine-2-carboxamide
CID 163301129
CID 174112658
CID 174112658
CID 174112655
CID 174112655
3,5-dichloro-N-[8-chloro-3-[[2-(1,1-difluoroethyl)phenyl]methyl]-2-methyl-4-oxoquinazolin-5-yl]-4-hydroxybenzamide
CID 170204590
3,5-dichloro-N-[2,8-dimethyl-3-[(6-methyl-2-pyridinyl)methyl]-4-oxoquinazolin-5-yl]-4-hydroxybenzamide
CID 170204583
3,5-dichloro-N-[2,8-dimethyl-4-oxo-3-[[2-(trifluoromethoxy)phenyl]methyl]quinazolin-5-yl]-4-hydroxybenzamide
CID 163301061
4,6-dichloro-5-hydroxy-N-[3-[(3-methylphenyl)methyl]-4-oxoquinazolin-5-yl]pyridine-2-carboxamide
CID 170204505
N-(2-fluoro-4-methylphenyl)-1-methylindazole-3-carboxamide
CID 71794697
4,6-dichloro-5-hydroxy-N-[4-oxo-3-[[2-(trifluoromethoxy)phenyl]methyl]thieno[2,3-d]pyrimidin-5-yl]pyridine-2-carboxamide
CID 163300992
1-(4-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanone
CID 107996468
N-(2-chloro-4-fluorophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 4810793
N-(2,4-dichlorophenyl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54685317

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-[8-fluoro-2-methyl-3-[(1-methylindazol-3-yl)methyl]-4-oxoquinazolin-5-yl]-5-hydroxypyridine-2-carboxamide?
The IUPAC name of 4,6-dichloro-N-[8-fluoro-2-methyl-3-[(1-methylindazol-3-yl)methyl]-4-oxoquinazolin-5-yl]-5-hydroxypyridine-2-carboxamide (CID 163301195) is 4,6-dichloro-N-[8-fluoro-2-methyl-3-[(1-methylindazol-3-yl)methyl]-4-oxoquinazolin-5-yl]-5-hydroxypyridine-2-carboxamide.
What is the SMILES notation for 4,6-dichloro-N-[8-fluoro-2-methyl-3-[(1-methylindazol-3-yl)methyl]-4-oxoquinazolin-5-yl]-5-hydroxypyridine-2-carboxamide?
The canonical SMILES for 4,6-dichloro-N-[8-fluoro-2-methyl-3-[(1-methylindazol-3-yl)methyl]-4-oxoquinazolin-5-yl]-5-hydroxypyridine-2-carboxamide is Cc1nc2c(F)ccc(NC(=O)c3cc(Cl)c(O)c(Cl)n3)c2c(=O)n1Cc1nn(C)c2ccccc12.
What is the InChIKey of 4,6-dichloro-N-[8-fluoro-2-methyl-3-[(1-methylindazol-3-yl)methyl]-4-oxoquinazolin-5-yl]-5-hydroxypyridine-2-carboxamide?
The InChIKey is GFXZXXYHYTVLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2FN6O3/c1-11-28-20-14(27)7-8-15(30-23(35)16-9-13(25)21(34)22(26)29-16)19(20)24(36)33(11)10-17-12-5-3-4-6-18(12)32(2)31-17/h3-9,34H,10H2,1-2H3,(H,30,35).
What are the key properties of 4,6-dichloro-N-[8-fluoro-2-methyl-3-[(1-methylindazol-3-yl)methyl]-4-oxoquinazolin-5-yl]-5-hydroxypyridine-2-carboxamide?
4,6-dichloro-N-[8-fluoro-2-methyl-3-[(1-methylindazol-3-yl)methyl]-4-oxoquinazolin-5-yl]-5-hydroxypyridine-2-carboxamide has a molecular weight of 527.34 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-[8-fluoro-2-methyl-3-[(1-methylindazol-3-yl)methyl]-4-oxoquinazolin-5-yl]-5-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 163301195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).