4-[5-chloro-2-(6-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine

C22H22ClN3O — CID 5139293

IUPAC4-[5-chloro-2-(6-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine
SMILESCOc1ccc2ncccc2c1-c1[nH]c2ccc(Cl)cc2c1CCCCN
InChIInChI=1S/C22H22ClN3O/c1-27-20-10-9-18-16(6-4-12-25-18)21(20)22-15(5-2-3-11-24)17-13-14(23)7-8-19(17)26-22/h4,6-10,12-13,26H,2-3,5,11,24H2,1H3
InChIKeyYSANCWLLDIWMAA-UHFFFAOYSA-N
MW379.89 g/mol
LogP5.33
Rot. Bonds6

About 4-[5-chloro-2-(6-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine

4-[5-chloro-2-(6-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine (PubChem CID 5139293) has the molecular formula C22H22ClN3O and a molecular weight of 379.89 g/mol. Its IUPAC name is 4-[5-chloro-2-(6-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[5-chloro-2-(6-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine
PubChem CID5139293
Molecular FormulaC22H22ClN3O
Molecular Weight379.89 g/mol
Exact Mass379.15
IUPAC Name4-[5-chloro-2-(6-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine
SMILESCOc1ccc2ncccc2c1-c1[nH]c2ccc(Cl)cc2c1CCCCN
InChIInChI=1S/C22H22ClN3O/c1-27-20-10-9-18-16(6-4-12-25-18)21(20)22-15(5-2-3-11-24)17-13-14(23)7-8-19(17)26-22/h4,6-10,12-13,26H,2-3,5,11,24H2,1H3
InChIKeyYSANCWLLDIWMAA-UHFFFAOYSA-N
XLogP5.33
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.89
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[5-tert-butyl-2-(5-chloro-2-methoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 5243590
4-[5-chloro-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 3892528
4-[2-(5-chloro-2-methoxyphenyl)-5-phenoxy-1H-indol-3-yl]butan-1-amine
CID 3539638
4-(5-chloro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine
CID 3657414
4-[5-chloro-2-(2-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3665448
3-(4-aminobutyl)-2-(2,6-dimethoxyphenyl)-1H-indole-5-carboxylic acid
CID 3934943
4-[5-butan-2-yl-2-(8-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine
CID 3357825
4-[5-bromo-2-(2-methoxy-3-pyridinyl)-1H-indol-3-yl]butan-1-amine
CID 3982849
4-[5-chloro-2-(4-phenylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5035921
4-[6,7-dichloro-2-(8-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine
CID 3502542
4-[5-chloro-2-(2-methylquinolin-5-yl)-1H-indol-3-yl]butan-1-amine
CID 3577273
4-[2-(4-methoxyquinolin-2-yl)-5-methyl-1H-indol-3-yl]butan-1-amine
CID 4520572

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-(6-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[5-chloro-2-(6-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine (CID 5139293) is 4-[5-chloro-2-(6-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[5-chloro-2-(6-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[5-chloro-2-(6-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine is COc1ccc2ncccc2c1-c1[nH]c2ccc(Cl)cc2c1CCCCN.
What is the InChIKey of 4-[5-chloro-2-(6-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine?
The InChIKey is YSANCWLLDIWMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O/c1-27-20-10-9-18-16(6-4-12-25-18)21(20)22-15(5-2-3-11-24)17-13-14(23)7-8-19(17)26-22/h4,6-10,12-13,26H,2-3,5,11,24H2,1H3.
What are the key properties of 4-[5-chloro-2-(6-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine?
4-[5-chloro-2-(6-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine has a molecular weight of 379.89 g/mol, XLogP of 5.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-(6-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 5139293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).