3-chloro-6-[[4-[(6-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]quinoline-8-carboxamide

C26H19ClFN5O2 — CID 118665192

IUPAC3-chloro-6-[[4-[(6-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]quinoline-8-carboxamide
SMILESNC(=O)c1cc(Cc2cc(C(=O)NCc3cc4cc[nH]c4cc3F)ccn2)cc2cc(Cl)cnc12
InChIInChI=1S/C26H19ClFN5O2/c27-19-9-17-5-14(7-21(25(29)34)24(17)32-13-19)6-20-10-16(2-3-30-20)26(35)33-12-18-8-15-1-4-31-23(15)11-22(18)28/h1-5,7-11,13,31H,6,12H2,(H2,29,34)(H,33,35)
InChIKeyZDVUWSXSXIPPGM-UHFFFAOYSA-N
MW487.92 g/mol
LogP4.52
Rot. Bonds6

About 3-chloro-6-[[4-[(6-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]quinoline-8-carboxamide

3-chloro-6-[[4-[(6-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]quinoline-8-carboxamide (PubChem CID 118665192) has the molecular formula C26H19ClFN5O2 and a molecular weight of 487.92 g/mol. Its IUPAC name is 3-chloro-6-[[4-[(6-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]quinoline-8-carboxamide.

Molecular Properties

Compound Name3-chloro-6-[[4-[(6-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]quinoline-8-carboxamide
PubChem CID118665192
Molecular FormulaC26H19ClFN5O2
Molecular Weight487.92 g/mol
Exact Mass487.12
IUPAC Name3-chloro-6-[[4-[(6-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]quinoline-8-carboxamide
SMILESNC(=O)c1cc(Cc2cc(C(=O)NCc3cc4cc[nH]c4cc3F)ccn2)cc2cc(Cl)cnc12
InChIInChI=1S/C26H19ClFN5O2/c27-19-9-17-5-14(7-21(25(29)34)24(17)32-13-19)6-20-10-16(2-3-30-20)26(35)33-12-18-8-15-1-4-31-23(15)11-22(18)28/h1-5,7-11,13,31H,6,12H2,(H2,29,34)(H,33,35)
InChIKeyZDVUWSXSXIPPGM-UHFFFAOYSA-N
XLogP4.52
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.92
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-chloro-6-[[4-[(6-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]quinoline-8-carboxamide with MolForge

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Related Compounds

AV-608
CID 9917079
3-Chloro-N-((1R,2S)-2-(4-(2-oxopyridin-1(2H)-YL)benzamido)cyclohexyl)-1H-indole-6-carboxamide
CID 11237163
N-[7-(6-Chloro-1,2,3,4-tetrahydroacridin-9-ylamino)-heptyl]-2-(1H-indol-3-yl)acetamide
CID 11283475
N-[6-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-hexyl]4-(1H-Indol-3-yl)-butyramide
CID 11341331
N-[5-(6-Chloro-1,2,3,4-tetrahydroacridin-9-ylamino)-pentyl]-4-(1H-indol-3-yl)butyramide
CID 11432076
2-(2-Quinolin-3-ylpyridin-4-YL)-1,5,6,7-tetrahydro-4H-pyrrolo(3,2-C)pyridin-4-one
CID 10389239
7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]heptanamide
CID 11599119
N-{7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl}-1-methyl-1H-indole-3-carboxamide
CID 11168014
N-{8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octyl}-1H-indole-3-carboxamide
CID 11272051
8,9,10,11-Tetrahydro-3,8,11-triaza-benzo[a]fluoren-7-one
CID 11402137
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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[[4-[(6-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]quinoline-8-carboxamide?
The IUPAC name of 3-chloro-6-[[4-[(6-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]quinoline-8-carboxamide (CID 118665192) is 3-chloro-6-[[4-[(6-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]quinoline-8-carboxamide.
What is the SMILES notation for 3-chloro-6-[[4-[(6-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]quinoline-8-carboxamide?
The canonical SMILES for 3-chloro-6-[[4-[(6-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]quinoline-8-carboxamide is NC(=O)c1cc(Cc2cc(C(=O)NCc3cc4cc[nH]c4cc3F)ccn2)cc2cc(Cl)cnc12.
What is the InChIKey of 3-chloro-6-[[4-[(6-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]quinoline-8-carboxamide?
The InChIKey is ZDVUWSXSXIPPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClFN5O2/c27-19-9-17-5-14(7-21(25(29)34)24(17)32-13-19)6-20-10-16(2-3-30-20)26(35)33-12-18-8-15-1-4-31-23(15)11-22(18)28/h1-5,7-11,13,31H,6,12H2,(H2,29,34)(H,33,35).
What are the key properties of 3-chloro-6-[[4-[(6-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]quinoline-8-carboxamide?
3-chloro-6-[[4-[(6-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]quinoline-8-carboxamide has a molecular weight of 487.92 g/mol, XLogP of 4.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[[4-[(6-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]quinoline-8-carboxamide is sourced from PubChem (CID 118665192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).