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

C22H22ClN3 — CID 3577273

IUPAC4-[5-chloro-2-(2-methylquinolin-5-yl)-1H-indol-3-yl]butan-1-amine
SMILESCc1ccc2c(-c3[nH]c4ccc(Cl)cc4c3CCCCN)cccc2n1
InChIInChI=1S/C22H22ClN3/c1-14-8-10-16-17(6-4-7-20(16)25-14)22-18(5-2-3-12-24)19-13-15(23)9-11-21(19)26-22/h4,6-11,13,26H,2-3,5,12,24H2,1H3
InChIKeyFAPFBDBYCHOBAE-UHFFFAOYSA-N
MW363.89 g/mol
LogP5.63
Rot. Bonds5

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

4-[5-chloro-2-(2-methylquinolin-5-yl)-1H-indol-3-yl]butan-1-amine (PubChem CID 3577273) has the molecular formula C22H22ClN3 and a molecular weight of 363.89 g/mol. Its IUPAC name is 4-[5-chloro-2-(2-methylquinolin-5-yl)-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[5-chloro-2-(2-methylquinolin-5-yl)-1H-indol-3-yl]butan-1-amine
PubChem CID3577273
Molecular FormulaC22H22ClN3
Molecular Weight363.89 g/mol
Exact Mass363.15
IUPAC Name4-[5-chloro-2-(2-methylquinolin-5-yl)-1H-indol-3-yl]butan-1-amine
SMILESCc1ccc2c(-c3[nH]c4ccc(Cl)cc4c3CCCCN)cccc2n1
InChIInChI=1S/C22H22ClN3/c1-14-8-10-16-17(6-4-7-20(16)25-14)22-18(5-2-3-12-24)19-13-15(23)9-11-21(19)26-22/h4,6-11,13,26H,2-3,5,12,24H2,1H3
InChIKeyFAPFBDBYCHOBAE-UHFFFAOYSA-N
XLogP5.63
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.89
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-methylquinolin-5-yl)-5-phenoxy-1H-indol-3-yl]butan-1-amine
CID 3934944
4-[5-chloro-2-(2-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3665448
4-[5-chloro-2-(4-phenylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5035921
4-(2-quinolin-5-yl-1H-indol-3-yl)butan-1-amine
CID 3891095
4-(5-chloro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine
CID 3657414
4-[2-(8-methoxy-2-methylquinolin-5-yl)-5-phenyl-1H-indol-3-yl]butan-1-amine
CID 4281655
4-[5-chloro-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 3892528
4-[5-chloro-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3990175
4-[5-fluoro-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine
CID 4027468
4-[5-chloro-2-[2-chloro-5-(trifluoromethyl)phenyl]-1H-indol-3-yl]butan-1-amine
CID 3978108
3-(4-aminobutyl)-2-(2,4-dichlorophenyl)-1H-indole-5-carbonitrile
CID 4022395
4-[2-(2-methoxy-3-methylphenyl)-5-phenyl-1H-indol-3-yl]butan-1-amine
CID 4545221

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-(2-methylquinolin-5-yl)-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[5-chloro-2-(2-methylquinolin-5-yl)-1H-indol-3-yl]butan-1-amine (CID 3577273) is 4-[5-chloro-2-(2-methylquinolin-5-yl)-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[5-chloro-2-(2-methylquinolin-5-yl)-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[5-chloro-2-(2-methylquinolin-5-yl)-1H-indol-3-yl]butan-1-amine is Cc1ccc2c(-c3[nH]c4ccc(Cl)cc4c3CCCCN)cccc2n1.
What is the InChIKey of 4-[5-chloro-2-(2-methylquinolin-5-yl)-1H-indol-3-yl]butan-1-amine?
The InChIKey is FAPFBDBYCHOBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3/c1-14-8-10-16-17(6-4-7-20(16)25-14)22-18(5-2-3-12-24)19-13-15(23)9-11-21(19)26-22/h4,6-11,13,26H,2-3,5,12,24H2,1H3.
What are the key properties of 4-[5-chloro-2-(2-methylquinolin-5-yl)-1H-indol-3-yl]butan-1-amine?
4-[5-chloro-2-(2-methylquinolin-5-yl)-1H-indol-3-yl]butan-1-amine has a molecular weight of 363.89 g/mol, XLogP of 5.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-(2-methylquinolin-5-yl)-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 3577273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).