4-(2-quinolin-5-yl-1H-indol-3-yl)butan-1-amine

C21H21N3 — CID 3891095

IUPAC4-(2-quinolin-5-yl-1H-indol-3-yl)butan-1-amine
SMILESNCCCCc1c(-c2cccc3ncccc23)[nH]c2ccccc12
InChIInChI=1S/C21H21N3/c22-13-4-3-8-17-16-7-1-2-11-20(16)24-21(17)18-9-5-12-19-15(18)10-6-14-23-19/h1-2,5-7,9-12,14,24H,3-4,8,13,22H2
InChIKeyABDMBPAFQHFVQS-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.66
Rot. Bonds5

About 4-(2-quinolin-5-yl-1H-indol-3-yl)butan-1-amine

4-(2-quinolin-5-yl-1H-indol-3-yl)butan-1-amine (PubChem CID 3891095) has the molecular formula C21H21N3 and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-(2-quinolin-5-yl-1H-indol-3-yl)butan-1-amine.

Molecular Properties

Compound Name4-(2-quinolin-5-yl-1H-indol-3-yl)butan-1-amine
PubChem CID3891095
Molecular FormulaC21H21N3
Molecular Weight315.42 g/mol
Exact Mass315.17
IUPAC Name4-(2-quinolin-5-yl-1H-indol-3-yl)butan-1-amine
SMILESNCCCCc1c(-c2cccc3ncccc23)[nH]c2ccccc12
InChIInChI=1S/C21H21N3/c22-13-4-3-8-17-16-7-1-2-11-20(16)24-21(17)18-9-5-12-19-15(18)10-6-14-23-19/h1-2,5-7,9-12,14,24H,3-4,8,13,22H2
InChIKeyABDMBPAFQHFVQS-UHFFFAOYSA-N
XLogP4.66
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.66
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-quinolin-5-yl-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
CID 3500745
3-(2-pyridin-2-yl-1H-indol-3-yl)propan-1-amine
CID 170868095
4-[5-chloro-2-(2-methylquinolin-5-yl)-1H-indol-3-yl]butan-1-amine
CID 3577273
4-[2-(2-methylquinolin-5-yl)-5-phenoxy-1H-indol-3-yl]butan-1-amine
CID 3934944
4-[2-(2-methoxy-3-pyridinyl)-5-phenyl-1H-indol-3-yl]butan-1-amine
CID 3936271
4-[2-(4-fluorophenyl)-1H-indol-3-yl]butan-1-amine
CID 3946658
5-quinolin-4-ylpentan-1-amine
CID 71089574
4-[5-bromo-2-(2-methoxy-3-pyridinyl)-1H-indol-3-yl]butan-1-amine
CID 3982849
2-(2-pyridin-2-yl-1H-indol-3-yl)ethanamine
CID 2771640
4-quinolin-4-ylbutan-1-amine
CID 10559963
4-[5-chloro-2-(6-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine
CID 5139293
4-[3-(4-aminobutyl)-1H-indol-2-yl]-N,N-dimethylaniline
CID 3484514

Frequently Asked Questions

What is the IUPAC name of 4-(2-quinolin-5-yl-1H-indol-3-yl)butan-1-amine?
The IUPAC name of 4-(2-quinolin-5-yl-1H-indol-3-yl)butan-1-amine (CID 3891095) is 4-(2-quinolin-5-yl-1H-indol-3-yl)butan-1-amine.
What is the SMILES notation for 4-(2-quinolin-5-yl-1H-indol-3-yl)butan-1-amine?
The canonical SMILES for 4-(2-quinolin-5-yl-1H-indol-3-yl)butan-1-amine is NCCCCc1c(-c2cccc3ncccc23)[nH]c2ccccc12.
What is the InChIKey of 4-(2-quinolin-5-yl-1H-indol-3-yl)butan-1-amine?
The InChIKey is ABDMBPAFQHFVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3/c22-13-4-3-8-17-16-7-1-2-11-20(16)24-21(17)18-9-5-12-19-15(18)10-6-14-23-19/h1-2,5-7,9-12,14,24H,3-4,8,13,22H2.
What are the key properties of 4-(2-quinolin-5-yl-1H-indol-3-yl)butan-1-amine?
4-(2-quinolin-5-yl-1H-indol-3-yl)butan-1-amine has a molecular weight of 315.42 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-quinolin-5-yl-1H-indol-3-yl)butan-1-amine is sourced from PubChem (CID 3891095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).