2-(7-chloro-5,6-difluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide

C19H12ClF2N3O — CID 118450036

IUPAC2-(7-chloro-5,6-difluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide
SMILESCNC(=O)c1cccc2nc(-c3c[nH]c4c(Cl)c(F)c(F)cc34)ccc12
InChIInChI=1S/C19H12ClF2N3O/c1-23-19(26)10-3-2-4-14-9(10)5-6-15(25-14)12-8-24-18-11(12)7-13(21)17(22)16(18)20/h2-8,24H,1H3,(H,23,26)
InChIKeyANMDAHJLJZYOTP-UHFFFAOYSA-N
MW371.77 g/mol
LogP4.67
Rot. Bonds2

About 2-(7-chloro-5,6-difluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide

2-(7-chloro-5,6-difluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide (PubChem CID 118450036) has the molecular formula C19H12ClF2N3O and a molecular weight of 371.77 g/mol. Its IUPAC name is 2-(7-chloro-5,6-difluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide.

Molecular Properties

Compound Name2-(7-chloro-5,6-difluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide
PubChem CID118450036
Molecular FormulaC19H12ClF2N3O
Molecular Weight371.77 g/mol
Exact Mass371.06
IUPAC Name2-(7-chloro-5,6-difluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide
SMILESCNC(=O)c1cccc2nc(-c3c[nH]c4c(Cl)c(F)c(F)cc34)ccc12
InChIInChI=1S/C19H12ClF2N3O/c1-23-19(26)10-3-2-4-14-9(10)5-6-15(25-14)12-8-24-18-11(12)7-13(21)17(22)16(18)20/h2-8,24H,1H3,(H,23,26)
InChIKeyANMDAHJLJZYOTP-UHFFFAOYSA-N
XLogP4.67
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.77
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-5,6-difluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide?
The IUPAC name of 2-(7-chloro-5,6-difluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide (CID 118450036) is 2-(7-chloro-5,6-difluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide.
What is the SMILES notation for 2-(7-chloro-5,6-difluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide?
The canonical SMILES for 2-(7-chloro-5,6-difluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide is CNC(=O)c1cccc2nc(-c3c[nH]c4c(Cl)c(F)c(F)cc34)ccc12.
What is the InChIKey of 2-(7-chloro-5,6-difluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide?
The InChIKey is ANMDAHJLJZYOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF2N3O/c1-23-19(26)10-3-2-4-14-9(10)5-6-15(25-14)12-8-24-18-11(12)7-13(21)17(22)16(18)20/h2-8,24H,1H3,(H,23,26).
What are the key properties of 2-(7-chloro-5,6-difluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide?
2-(7-chloro-5,6-difluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide has a molecular weight of 371.77 g/mol, XLogP of 4.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-5,6-difluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide is sourced from PubChem (CID 118450036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).