N-[[8-chloro-2-(6-fluoro-7-methyl-1H-indol-3-yl)quinolin-5-yl]methyl]-2-(7-methyl-1H-indol-3-yl)quinoline-5-carboxamide

C38H27ClFN5O — CID 123386014

IUPACN-[[8-chloro-2-(6-fluoro-7-methyl-1H-indol-3-yl)quinolin-5-yl]methyl]-2-(7-methyl-1H-indol-3-yl)quinoline-5-carboxamide
SMILESCc1cccc2c(-c3ccc4c(C(=O)NCc5ccc(Cl)c6nc(-c7c[nH]c8c(C)c(F)ccc78)ccc56)cccc4n3)c[nH]c12
InChIInChI=1S/C38H27ClFN5O/c1-20-5-3-6-25-28(18-41-35(20)25)33-16-12-24-27(7-4-8-32(24)44-33)38(46)43-17-22-9-13-30(39)37-23(22)11-15-34(45-37)29-19-42-36-21(2)31(40)14-10-26(29)36/h3-16,18-19,41-42H,17H2,1-2H3,(H,43,46)
InChIKeyFQEMPJQRINJQQJ-UHFFFAOYSA-N
MW624.12 g/mol
LogP9.42
Rot. Bonds5

About N-[[8-chloro-2-(6-fluoro-7-methyl-1H-indol-3-yl)quinolin-5-yl]methyl]-2-(7-methyl-1H-indol-3-yl)quinoline-5-carboxamide

N-[[8-chloro-2-(6-fluoro-7-methyl-1H-indol-3-yl)quinolin-5-yl]methyl]-2-(7-methyl-1H-indol-3-yl)quinoline-5-carboxamide (PubChem CID 123386014) has the molecular formula C38H27ClFN5O and a molecular weight of 624.12 g/mol. Its IUPAC name is N-[[8-chloro-2-(6-fluoro-7-methyl-1H-indol-3-yl)quinolin-5-yl]methyl]-2-(7-methyl-1H-indol-3-yl)quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[[8-chloro-2-(6-fluoro-7-methyl-1H-indol-3-yl)quinolin-5-yl]methyl]-2-(7-methyl-1H-indol-3-yl)quinoline-5-carboxamide
PubChem CID123386014
Molecular FormulaC38H27ClFN5O
Molecular Weight624.12 g/mol
Exact Mass623.19
IUPAC NameN-[[8-chloro-2-(6-fluoro-7-methyl-1H-indol-3-yl)quinolin-5-yl]methyl]-2-(7-methyl-1H-indol-3-yl)quinoline-5-carboxamide
SMILESCc1cccc2c(-c3ccc4c(C(=O)NCc5ccc(Cl)c6nc(-c7c[nH]c8c(C)c(F)ccc78)ccc56)cccc4n3)c[nH]c12
InChIInChI=1S/C38H27ClFN5O/c1-20-5-3-6-25-28(18-41-35(20)25)33-16-12-24-27(7-4-8-32(24)44-33)38(46)43-17-22-9-13-30(39)37-23(22)11-15-34(45-37)29-19-42-36-21(2)31(40)14-10-26(29)36/h3-16,18-19,41-42H,17H2,1-2H3,(H,43,46)
InChIKeyFQEMPJQRINJQQJ-UHFFFAOYSA-N
XLogP9.42
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.12
LogP ≤ 59.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[[8-chloro-2-(6-fluoro-7-methyl-1H-indol-3-yl)quinolin-5-yl]methyl]-2-(7-methyl-1H-indol-3-yl)quinoline-5-carboxamide with MolForge

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Related Compounds

N-{6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl}-1H-indole-3-carboxamide
CID 11465667
N-{5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl}-1H-indole-3-carboxamide
CID 11669798
N-(2-(5-Chloro-1H-indol-3-yl)ethyl)-3-((5-fluoropyridin-3-yl)methyl)benzamide
CID 71458475
N-({7-[(5-chloro-3-methyl-1H-indol-2-yl)carbonyl]-3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl}methyl)-2-fluorobenzamide
CID 42323702
[4-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-(1H-indol-4-yl)methanone
CID 44389750
US10023557, Example 110
CID 118212258
US10023557, Example 123
CID 118212350
US10023557, Example 45
CID 118212391
US10023557, Example 125
CID 118212449
US10023557, Example 126
CID 118212638
US10023557, Example 116
CID 118212685
US10023557, Example 128
CID 118212704

Frequently Asked Questions

What is the IUPAC name of N-[[8-chloro-2-(6-fluoro-7-methyl-1H-indol-3-yl)quinolin-5-yl]methyl]-2-(7-methyl-1H-indol-3-yl)quinoline-5-carboxamide?
The IUPAC name of N-[[8-chloro-2-(6-fluoro-7-methyl-1H-indol-3-yl)quinolin-5-yl]methyl]-2-(7-methyl-1H-indol-3-yl)quinoline-5-carboxamide (CID 123386014) is N-[[8-chloro-2-(6-fluoro-7-methyl-1H-indol-3-yl)quinolin-5-yl]methyl]-2-(7-methyl-1H-indol-3-yl)quinoline-5-carboxamide.
What is the SMILES notation for N-[[8-chloro-2-(6-fluoro-7-methyl-1H-indol-3-yl)quinolin-5-yl]methyl]-2-(7-methyl-1H-indol-3-yl)quinoline-5-carboxamide?
The canonical SMILES for N-[[8-chloro-2-(6-fluoro-7-methyl-1H-indol-3-yl)quinolin-5-yl]methyl]-2-(7-methyl-1H-indol-3-yl)quinoline-5-carboxamide is Cc1cccc2c(-c3ccc4c(C(=O)NCc5ccc(Cl)c6nc(-c7c[nH]c8c(C)c(F)ccc78)ccc56)cccc4n3)c[nH]c12.
What is the InChIKey of N-[[8-chloro-2-(6-fluoro-7-methyl-1H-indol-3-yl)quinolin-5-yl]methyl]-2-(7-methyl-1H-indol-3-yl)quinoline-5-carboxamide?
The InChIKey is FQEMPJQRINJQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27ClFN5O/c1-20-5-3-6-25-28(18-41-35(20)25)33-16-12-24-27(7-4-8-32(24)44-33)38(46)43-17-22-9-13-30(39)37-23(22)11-15-34(45-37)29-19-42-36-21(2)31(40)14-10-26(29)36/h3-16,18-19,41-42H,17H2,1-2H3,(H,43,46).
What are the key properties of N-[[8-chloro-2-(6-fluoro-7-methyl-1H-indol-3-yl)quinolin-5-yl]methyl]-2-(7-methyl-1H-indol-3-yl)quinoline-5-carboxamide?
N-[[8-chloro-2-(6-fluoro-7-methyl-1H-indol-3-yl)quinolin-5-yl]methyl]-2-(7-methyl-1H-indol-3-yl)quinoline-5-carboxamide has a molecular weight of 624.12 g/mol, XLogP of 9.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-chloro-2-(6-fluoro-7-methyl-1H-indol-3-yl)quinolin-5-yl]methyl]-2-(7-methyl-1H-indol-3-yl)quinoline-5-carboxamide is sourced from PubChem (CID 123386014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).