[6-[[4-[[(3-chloro-6-fluoro-1H-indol-5-yl)methylamino]methyl]-2-pyridinyl]methyl]quinolin-2-yl]methanamine

C26H23ClFN5 — CID 126745832

IUPAC[6-[[4-[[(3-chloro-6-fluoro-1H-indol-5-yl)methylamino]methyl]-2-pyridinyl]methyl]quinolin-2-yl]methanamine
SMILESNCc1ccc2cc(Cc3cc(CNCc4cc5c(Cl)c[nH]c5cc4F)ccn3)ccc2n1
InChIInChI=1S/C26H23ClFN5/c27-23-15-32-26-11-24(28)19(10-22(23)26)14-30-13-17-5-6-31-21(9-17)8-16-1-4-25-18(7-16)2-3-20(12-29)33-25/h1-7,9-11,15,30,32H,8,12-14,29H2
InChIKeyAGZWDBXZCPTYRB-UHFFFAOYSA-N
MW459.96 g/mol
LogP5.24
Rot. Bonds7

About [6-[[4-[[(3-chloro-6-fluoro-1H-indol-5-yl)methylamino]methyl]-2-pyridinyl]methyl]quinolin-2-yl]methanamine

[6-[[4-[[(3-chloro-6-fluoro-1H-indol-5-yl)methylamino]methyl]-2-pyridinyl]methyl]quinolin-2-yl]methanamine (PubChem CID 126745832) has the molecular formula C26H23ClFN5 and a molecular weight of 459.96 g/mol. Its IUPAC name is [6-[[4-[[(3-chloro-6-fluoro-1H-indol-5-yl)methylamino]methyl]-2-pyridinyl]methyl]quinolin-2-yl]methanamine.

Molecular Properties

Compound Name[6-[[4-[[(3-chloro-6-fluoro-1H-indol-5-yl)methylamino]methyl]-2-pyridinyl]methyl]quinolin-2-yl]methanamine
PubChem CID126745832
Molecular FormulaC26H23ClFN5
Molecular Weight459.96 g/mol
Exact Mass459.16
IUPAC Name[6-[[4-[[(3-chloro-6-fluoro-1H-indol-5-yl)methylamino]methyl]-2-pyridinyl]methyl]quinolin-2-yl]methanamine
SMILESNCc1ccc2cc(Cc3cc(CNCc4cc5c(Cl)c[nH]c5cc4F)ccn3)ccc2n1
InChIInChI=1S/C26H23ClFN5/c27-23-15-32-26-11-24(28)19(10-22(23)26)14-30-13-17-5-6-31-21(9-17)8-16-1-4-25-18(7-16)2-3-20(12-29)33-25/h1-7,9-11,15,30,32H,8,12-14,29H2
InChIKeyAGZWDBXZCPTYRB-UHFFFAOYSA-N
XLogP5.24
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.96
LogP ≤ 55.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [6-[[4-[[(3-chloro-6-fluoro-1H-indol-5-yl)methylamino]methyl]-2-pyridinyl]methyl]quinolin-2-yl]methanamine with MolForge

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Related Compounds

CID 9930376
CID 9930376
2-(5-fluoro-7-methyl-1H-indol-3-yl)quinoline
CID 118449872
3-chloro-9H-pyrido[3,4-b]indole
CID 6198020
(2R)-4-{6-chloro-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}-1-(1H-indol-3-yl)butan-2-amine
CID 10237709
3-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole
CID 44413409
3-(1H-indol-3-yl)quinoline
CID 10243546
3-{4-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carbonitrile
CID 10134144
5-chloro-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-1,2,3,4-tetrahydroquinoline
CID 11617028
5-chloro-6-(5-fluoro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline
CID 11631784
(R)-2-(6-chloropyridin-3-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 25156478
US10660877, Example 31
CID 134329288
US10660877, Example 73
CID 134329909

Frequently Asked Questions

What is the IUPAC name of [6-[[4-[[(3-chloro-6-fluoro-1H-indol-5-yl)methylamino]methyl]-2-pyridinyl]methyl]quinolin-2-yl]methanamine?
The IUPAC name of [6-[[4-[[(3-chloro-6-fluoro-1H-indol-5-yl)methylamino]methyl]-2-pyridinyl]methyl]quinolin-2-yl]methanamine (CID 126745832) is [6-[[4-[[(3-chloro-6-fluoro-1H-indol-5-yl)methylamino]methyl]-2-pyridinyl]methyl]quinolin-2-yl]methanamine.
What is the SMILES notation for [6-[[4-[[(3-chloro-6-fluoro-1H-indol-5-yl)methylamino]methyl]-2-pyridinyl]methyl]quinolin-2-yl]methanamine?
The canonical SMILES for [6-[[4-[[(3-chloro-6-fluoro-1H-indol-5-yl)methylamino]methyl]-2-pyridinyl]methyl]quinolin-2-yl]methanamine is NCc1ccc2cc(Cc3cc(CNCc4cc5c(Cl)c[nH]c5cc4F)ccn3)ccc2n1.
What is the InChIKey of [6-[[4-[[(3-chloro-6-fluoro-1H-indol-5-yl)methylamino]methyl]-2-pyridinyl]methyl]quinolin-2-yl]methanamine?
The InChIKey is AGZWDBXZCPTYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN5/c27-23-15-32-26-11-24(28)19(10-22(23)26)14-30-13-17-5-6-31-21(9-17)8-16-1-4-25-18(7-16)2-3-20(12-29)33-25/h1-7,9-11,15,30,32H,8,12-14,29H2.
What are the key properties of [6-[[4-[[(3-chloro-6-fluoro-1H-indol-5-yl)methylamino]methyl]-2-pyridinyl]methyl]quinolin-2-yl]methanamine?
[6-[[4-[[(3-chloro-6-fluoro-1H-indol-5-yl)methylamino]methyl]-2-pyridinyl]methyl]quinolin-2-yl]methanamine has a molecular weight of 459.96 g/mol, XLogP of 5.24, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[4-[[(3-chloro-6-fluoro-1H-indol-5-yl)methylamino]methyl]-2-pyridinyl]methyl]quinolin-2-yl]methanamine is sourced from PubChem (CID 126745832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).