4-(4-chloro-2-fluoroanilino)-6,7-dimethoxy-N-methylquinoline-3-carboxamide

C19H17ClFN3O3 — CID 118704900

IUPAC4-(4-chloro-2-fluoroanilino)-6,7-dimethoxy-N-methylquinoline-3-carboxamide
SMILESCNC(=O)c1cnc2cc(OC)c(OC)cc2c1Nc1ccc(Cl)cc1F
InChIInChI=1S/C19H17ClFN3O3/c1-22-19(25)12-9-23-15-8-17(27-3)16(26-2)7-11(15)18(12)24-14-5-4-10(20)6-13(14)21/h4-9H,1-3H3,(H,22,25)(H,23,24)
InChIKeyMXBCVSLLTIRSIL-UHFFFAOYSA-N
MW389.81 g/mol
LogP4.15
Rot. Bonds5

About 4-(4-chloro-2-fluoroanilino)-6,7-dimethoxy-N-methylquinoline-3-carboxamide

4-(4-chloro-2-fluoroanilino)-6,7-dimethoxy-N-methylquinoline-3-carboxamide (PubChem CID 118704900) has the molecular formula C19H17ClFN3O3 and a molecular weight of 389.81 g/mol. Its IUPAC name is 4-(4-chloro-2-fluoroanilino)-6,7-dimethoxy-N-methylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-(4-chloro-2-fluoroanilino)-6,7-dimethoxy-N-methylquinoline-3-carboxamide
PubChem CID118704900
Molecular FormulaC19H17ClFN3O3
Molecular Weight389.81 g/mol
Exact Mass389.09
IUPAC Name4-(4-chloro-2-fluoroanilino)-6,7-dimethoxy-N-methylquinoline-3-carboxamide
SMILESCNC(=O)c1cnc2cc(OC)c(OC)cc2c1Nc1ccc(Cl)cc1F
InChIInChI=1S/C19H17ClFN3O3/c1-22-19(25)12-9-23-15-8-17(27-3)16(26-2)7-11(15)18(12)24-14-5-4-10(20)6-13(14)21/h4-9H,1-3H3,(H,22,25)(H,23,24)
InChIKeyMXBCVSLLTIRSIL-UHFFFAOYSA-N
XLogP4.15
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.81
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluoroanilino)-6,7-dimethoxy-N-methylquinoline-3-carboxamide?
The IUPAC name of 4-(4-chloro-2-fluoroanilino)-6,7-dimethoxy-N-methylquinoline-3-carboxamide (CID 118704900) is 4-(4-chloro-2-fluoroanilino)-6,7-dimethoxy-N-methylquinoline-3-carboxamide.
What is the SMILES notation for 4-(4-chloro-2-fluoroanilino)-6,7-dimethoxy-N-methylquinoline-3-carboxamide?
The canonical SMILES for 4-(4-chloro-2-fluoroanilino)-6,7-dimethoxy-N-methylquinoline-3-carboxamide is CNC(=O)c1cnc2cc(OC)c(OC)cc2c1Nc1ccc(Cl)cc1F.
What is the InChIKey of 4-(4-chloro-2-fluoroanilino)-6,7-dimethoxy-N-methylquinoline-3-carboxamide?
The InChIKey is MXBCVSLLTIRSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O3/c1-22-19(25)12-9-23-15-8-17(27-3)16(26-2)7-11(15)18(12)24-14-5-4-10(20)6-13(14)21/h4-9H,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 4-(4-chloro-2-fluoroanilino)-6,7-dimethoxy-N-methylquinoline-3-carboxamide?
4-(4-chloro-2-fluoroanilino)-6,7-dimethoxy-N-methylquinoline-3-carboxamide has a molecular weight of 389.81 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluoroanilino)-6,7-dimethoxy-N-methylquinoline-3-carboxamide is sourced from PubChem (CID 118704900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).