2-chloro-N-(2,4-dimethoxyphenyl)-7-fluoroquinoline-3-carboxamide

C18H14ClFN2O3 — CID 110299190

IUPAC2-chloro-N-(2,4-dimethoxyphenyl)-7-fluoroquinoline-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3ccc(F)cc3nc2Cl)c(OC)c1
InChIInChI=1S/C18H14ClFN2O3/c1-24-12-5-6-14(16(9-12)25-2)22-18(23)13-7-10-3-4-11(20)8-15(10)21-17(13)19/h3-9H,1-2H3,(H,22,23)
InChIKeyMITDVYZMWRMGEV-UHFFFAOYSA-N
MW360.77 g/mol
LogP4.30
Rot. Bonds4

About 2-chloro-N-(2,4-dimethoxyphenyl)-7-fluoroquinoline-3-carboxamide

2-chloro-N-(2,4-dimethoxyphenyl)-7-fluoroquinoline-3-carboxamide (PubChem CID 110299190) has the molecular formula C18H14ClFN2O3 and a molecular weight of 360.77 g/mol. Its IUPAC name is 2-chloro-N-(2,4-dimethoxyphenyl)-7-fluoroquinoline-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2,4-dimethoxyphenyl)-7-fluoroquinoline-3-carboxamide
PubChem CID110299190
Molecular FormulaC18H14ClFN2O3
Molecular Weight360.77 g/mol
Exact Mass360.07
IUPAC Name2-chloro-N-(2,4-dimethoxyphenyl)-7-fluoroquinoline-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3ccc(F)cc3nc2Cl)c(OC)c1
InChIInChI=1S/C18H14ClFN2O3/c1-24-12-5-6-14(16(9-12)25-2)22-18(23)13-7-10-3-4-11(20)8-15(10)21-17(13)19/h3-9H,1-2H3,(H,22,23)
InChIKeyMITDVYZMWRMGEV-UHFFFAOYSA-N
XLogP4.30
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.77
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-7-fluoro-N-[(4-methoxyphenyl)methyl]quinoline-3-carboxamide
CID 110299119
2-chloro-7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]quinoline-3-carboxamide
CID 110299153
2-chloro-N-(2-chlorophenyl)-7-fluoroquinoline-3-carboxamide
CID 110299179
2-amino-N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 62060818
2-chloro-7-fluoro-N-(6-methoxy-3-pyridinyl)quinoline-3-carboxamide
CID 110301899
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
2,4-dichloro-N-(2,4-dimethoxyphenyl)-5-fluorobenzamide
CID 9192573
2-amino-N-(4-fluoro-2-methoxyphenyl)-4-methoxybenzamide
CID 115413055
6-chloro-N-(2,4-dimethoxyphenyl)-2-methylquinoline-3-carboxamide
CID 17404602
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
N'-(2,4-difluorophenyl)-N-(2,4-dimethoxyphenyl)oxamide
CID 44998467
N-(3-acetamidophenyl)-2-chloro-7-fluoroquinoline-3-carboxamide
CID 110299194

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,4-dimethoxyphenyl)-7-fluoroquinoline-3-carboxamide?
The IUPAC name of 2-chloro-N-(2,4-dimethoxyphenyl)-7-fluoroquinoline-3-carboxamide (CID 110299190) is 2-chloro-N-(2,4-dimethoxyphenyl)-7-fluoroquinoline-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2,4-dimethoxyphenyl)-7-fluoroquinoline-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2,4-dimethoxyphenyl)-7-fluoroquinoline-3-carboxamide is COc1ccc(NC(=O)c2cc3ccc(F)cc3nc2Cl)c(OC)c1.
What is the InChIKey of 2-chloro-N-(2,4-dimethoxyphenyl)-7-fluoroquinoline-3-carboxamide?
The InChIKey is MITDVYZMWRMGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O3/c1-24-12-5-6-14(16(9-12)25-2)22-18(23)13-7-10-3-4-11(20)8-15(10)21-17(13)19/h3-9H,1-2H3,(H,22,23).
What are the key properties of 2-chloro-N-(2,4-dimethoxyphenyl)-7-fluoroquinoline-3-carboxamide?
2-chloro-N-(2,4-dimethoxyphenyl)-7-fluoroquinoline-3-carboxamide has a molecular weight of 360.77 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,4-dimethoxyphenyl)-7-fluoroquinoline-3-carboxamide is sourced from PubChem (CID 110299190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).