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

C36H22ClF2N5O — CID 126544243

IUPACN-[[8-chloro-2-(7-fluoro-1H-indol-3-yl)quinolin-5-yl]methyl]-2-(7-fluoro-1H-indol-3-yl)quinoline-5-carboxamide
SMILESO=C(NCc1ccc(Cl)c2nc(-c3c[nH]c4c(F)cccc34)ccc12)c1cccc2nc(-c3c[nH]c4c(F)cccc34)ccc12
InChIInChI=1S/C36H22ClF2N5O/c37-27-13-10-19(20-11-14-32(44-33(20)27)26-18-41-35-23(26)5-2-8-29(35)39)16-42-36(45)24-6-3-9-30-21(24)12-15-31(43-30)25-17-40-34-22(25)4-1-7-28(34)38/h1-15,17-18,40-41H,16H2,(H,42,45)
InChIKeyISPNCDWVQSADCJ-UHFFFAOYSA-N
MW614.06 g/mol
LogP8.94
Rot. Bonds5

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

N-[[8-chloro-2-(7-fluoro-1H-indol-3-yl)quinolin-5-yl]methyl]-2-(7-fluoro-1H-indol-3-yl)quinoline-5-carboxamide (PubChem CID 126544243) has the molecular formula C36H22ClF2N5O and a molecular weight of 614.06 g/mol. Its IUPAC name is N-[[8-chloro-2-(7-fluoro-1H-indol-3-yl)quinolin-5-yl]methyl]-2-(7-fluoro-1H-indol-3-yl)quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[[8-chloro-2-(7-fluoro-1H-indol-3-yl)quinolin-5-yl]methyl]-2-(7-fluoro-1H-indol-3-yl)quinoline-5-carboxamide
PubChem CID126544243
Molecular FormulaC36H22ClF2N5O
Molecular Weight614.06 g/mol
Exact Mass613.15
IUPAC NameN-[[8-chloro-2-(7-fluoro-1H-indol-3-yl)quinolin-5-yl]methyl]-2-(7-fluoro-1H-indol-3-yl)quinoline-5-carboxamide
SMILESO=C(NCc1ccc(Cl)c2nc(-c3c[nH]c4c(F)cccc34)ccc12)c1cccc2nc(-c3c[nH]c4c(F)cccc34)ccc12
InChIInChI=1S/C36H22ClF2N5O/c37-27-13-10-19(20-11-14-32(44-33(20)27)26-18-41-35-23(26)5-2-8-29(35)39)16-42-36(45)24-6-3-9-30-21(24)12-15-31(43-30)25-17-40-34-22(25)4-1-7-28(34)38/h1-15,17-18,40-41H,16H2,(H,42,45)
InChIKeyISPNCDWVQSADCJ-UHFFFAOYSA-N
XLogP8.94
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.06
LogP ≤ 58.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-{8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octyl}-1H-indole-3-carboxamide
CID 11272051
N-{6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl}-1H-indole-3-carboxamide
CID 11465667
N-{7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl}-1H-indole-3-carboxamide
CID 11465956
N-{5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl}-1H-indole-3-carboxamide
CID 11669798
(3-chloro-4-fluorophenyl)-[4-[[3-(5-fluoro-1H-indol-3-yl)propylamino]methyl]piperidin-1-yl]methanone
CID 168298375
4-fluoro-N-[3-[1-[6-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]hexyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
CID 24881617
4-fluoro-N-[3-[1-[9-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]nonyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
CID 24881618
4-fluoro-N-[3-[1-[7-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]heptyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
CID 24882193
6-[(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 155519504
1H-Indole-4-carboxylic acid [1''-(3,4-dichloro-benzyl)-[1,4'']bipiperidinyl-3-ylmethyl]-amide
CID 44399482
N-methyl-2-(5,6,7-trifluoro-3H-indol-3-ylidene)-1,2-dihydroquinoline-5-carboxamide
CID 118449732
N-propan-2-yl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide
CID 163321994

Frequently Asked Questions

What is the IUPAC name of N-[[8-chloro-2-(7-fluoro-1H-indol-3-yl)quinolin-5-yl]methyl]-2-(7-fluoro-1H-indol-3-yl)quinoline-5-carboxamide?
The IUPAC name of N-[[8-chloro-2-(7-fluoro-1H-indol-3-yl)quinolin-5-yl]methyl]-2-(7-fluoro-1H-indol-3-yl)quinoline-5-carboxamide (CID 126544243) is N-[[8-chloro-2-(7-fluoro-1H-indol-3-yl)quinolin-5-yl]methyl]-2-(7-fluoro-1H-indol-3-yl)quinoline-5-carboxamide.
What is the SMILES notation for N-[[8-chloro-2-(7-fluoro-1H-indol-3-yl)quinolin-5-yl]methyl]-2-(7-fluoro-1H-indol-3-yl)quinoline-5-carboxamide?
The canonical SMILES for N-[[8-chloro-2-(7-fluoro-1H-indol-3-yl)quinolin-5-yl]methyl]-2-(7-fluoro-1H-indol-3-yl)quinoline-5-carboxamide is O=C(NCc1ccc(Cl)c2nc(-c3c[nH]c4c(F)cccc34)ccc12)c1cccc2nc(-c3c[nH]c4c(F)cccc34)ccc12.
What is the InChIKey of N-[[8-chloro-2-(7-fluoro-1H-indol-3-yl)quinolin-5-yl]methyl]-2-(7-fluoro-1H-indol-3-yl)quinoline-5-carboxamide?
The InChIKey is ISPNCDWVQSADCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22ClF2N5O/c37-27-13-10-19(20-11-14-32(44-33(20)27)26-18-41-35-23(26)5-2-8-29(35)39)16-42-36(45)24-6-3-9-30-21(24)12-15-31(43-30)25-17-40-34-22(25)4-1-7-28(34)38/h1-15,17-18,40-41H,16H2,(H,42,45).
What are the key properties of N-[[8-chloro-2-(7-fluoro-1H-indol-3-yl)quinolin-5-yl]methyl]-2-(7-fluoro-1H-indol-3-yl)quinoline-5-carboxamide?
N-[[8-chloro-2-(7-fluoro-1H-indol-3-yl)quinolin-5-yl]methyl]-2-(7-fluoro-1H-indol-3-yl)quinoline-5-carboxamide has a molecular weight of 614.06 g/mol, XLogP of 8.94, 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-(7-fluoro-1H-indol-3-yl)quinolin-5-yl]methyl]-2-(7-fluoro-1H-indol-3-yl)quinoline-5-carboxamide is sourced from PubChem (CID 126544243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).