N-[8-chloro-3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]hexanamide

C23H22ClN3O2 — CID 10136109

IUPACN-[8-chloro-3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]hexanamide
SMILESCCCCCC(=O)Nc1ccc2cc(-c3c[nH]c4ccccc34)c(=O)[nH]c2c1Cl
InChIInChI=1S/C23H22ClN3O2/c1-2-3-4-9-20(28)26-19-11-10-14-12-16(23(29)27-22(14)21(19)24)17-13-25-18-8-6-5-7-15(17)18/h5-8,10-13,25H,2-4,9H2,1H3,(H,26,28)(H,27,29)
InChIKeyZJWNKERMRBKCJI-UHFFFAOYSA-N
MW407.90 g/mol
LogP5.85
Rot. Bonds6

About N-[8-chloro-3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]hexanamide

N-[8-chloro-3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]hexanamide (PubChem CID 10136109) has the molecular formula C23H22ClN3O2 and a molecular weight of 407.90 g/mol. Its IUPAC name is N-[8-chloro-3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]hexanamide.

Molecular Properties

Compound NameN-[8-chloro-3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]hexanamide
PubChem CID10136109
Molecular FormulaC23H22ClN3O2
Molecular Weight407.90 g/mol
Exact Mass407.14
IUPAC NameN-[8-chloro-3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]hexanamide
SMILESCCCCCC(=O)Nc1ccc2cc(-c3c[nH]c4ccccc34)c(=O)[nH]c2c1Cl
InChIInChI=1S/C23H22ClN3O2/c1-2-3-4-9-20(28)26-19-11-10-14-12-16(23(29)27-22(14)21(19)24)17-13-25-18-8-6-5-7-15(17)18/h5-8,10-13,25H,2-4,9H2,1H3,(H,26,28)(H,27,29)
InChIKeyZJWNKERMRBKCJI-UHFFFAOYSA-N
XLogP5.85
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.90
LogP ≤ 55.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[8-chloro-3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]hexanamide with MolForge

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Related Compounds

methyl 3-[[8-chloro-3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]amino]-3-oxopropanoate
CID 10112203
N-naphthalen-1-yldodecanamide
CID 588517
N-(1H-indol-3-yl)butanamide;dihydrochloride
CID 142898662
N-(2-chlorophenyl)octanamide
CID 2292983
N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)tridecanamide
CID 54678159
N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)hexadecanamide
CID 54704146
N-(3-bromo-2,4-dichlorophenyl)octanamide
CID 177295929
N-(1H-indol-3-ylmethylideneamino)hexadecanamide
CID 136905846
N-(2-chlorophenyl)hexanamide
CID 4644560
N-(2,5-dichlorophenyl)heptanamide
CID 3294645
4-hydroxy-N-(1H-indol-3-yl)butanamide
CID 115162786
N-(5-chloro-2-hydroxyphenyl)-4-(1H-indol-3-yl)butanamide
CID 55369407

Frequently Asked Questions

What is the IUPAC name of N-[8-chloro-3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]hexanamide?
The IUPAC name of N-[8-chloro-3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]hexanamide (CID 10136109) is N-[8-chloro-3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]hexanamide.
What is the SMILES notation for N-[8-chloro-3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]hexanamide?
The canonical SMILES for N-[8-chloro-3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]hexanamide is CCCCCC(=O)Nc1ccc2cc(-c3c[nH]c4ccccc34)c(=O)[nH]c2c1Cl.
What is the InChIKey of N-[8-chloro-3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]hexanamide?
The InChIKey is ZJWNKERMRBKCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O2/c1-2-3-4-9-20(28)26-19-11-10-14-12-16(23(29)27-22(14)21(19)24)17-13-25-18-8-6-5-7-15(17)18/h5-8,10-13,25H,2-4,9H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[8-chloro-3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]hexanamide?
N-[8-chloro-3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]hexanamide has a molecular weight of 407.90 g/mol, XLogP of 5.85, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-chloro-3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]hexanamide is sourced from PubChem (CID 10136109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).