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

C28H27N3O — CID 3934944

IUPAC4-[2-(2-methylquinolin-5-yl)-5-phenoxy-1H-indol-3-yl]butan-1-amine
SMILESCc1ccc2c(-c3[nH]c4ccc(Oc5ccccc5)cc4c3CCCCN)cccc2n1
InChIInChI=1S/C28H27N3O/c1-19-13-15-22-23(11-7-12-26(22)30-19)28-24(10-5-6-17-29)25-18-21(14-16-27(25)31-28)32-20-8-3-2-4-9-20/h2-4,7-9,11-16,18,31H,5-6,10,17,29H2,1H3
InChIKeyRHZOVYQKGXHKRT-UHFFFAOYSA-N
MW421.54 g/mol
LogP6.77
Rot. Bonds7

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

4-[2-(2-methylquinolin-5-yl)-5-phenoxy-1H-indol-3-yl]butan-1-amine (PubChem CID 3934944) has the molecular formula C28H27N3O and a molecular weight of 421.54 g/mol. Its IUPAC name is 4-[2-(2-methylquinolin-5-yl)-5-phenoxy-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[2-(2-methylquinolin-5-yl)-5-phenoxy-1H-indol-3-yl]butan-1-amine
PubChem CID3934944
Molecular FormulaC28H27N3O
Molecular Weight421.54 g/mol
Exact Mass421.22
IUPAC Name4-[2-(2-methylquinolin-5-yl)-5-phenoxy-1H-indol-3-yl]butan-1-amine
SMILESCc1ccc2c(-c3[nH]c4ccc(Oc5ccccc5)cc4c3CCCCN)cccc2n1
InChIInChI=1S/C28H27N3O/c1-19-13-15-22-23(11-7-12-26(22)30-19)28-24(10-5-6-17-29)25-18-21(14-16-27(25)31-28)32-20-8-3-2-4-9-20/h2-4,7-9,11-16,18,31H,5-6,10,17,29H2,1H3
InChIKeyRHZOVYQKGXHKRT-UHFFFAOYSA-N
XLogP6.77
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 56.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-(2-methylquinolin-5-yl)-5-phenoxy-1H-indol-3-yl]butan-1-amine with MolForge

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Related Compounds

4-[5-chloro-2-(2-methylquinolin-5-yl)-1H-indol-3-yl]butan-1-amine
CID 3577273
4-[2-(5-chloro-2-methoxyphenyl)-5-phenoxy-1H-indol-3-yl]butan-1-amine
CID 3539638
4-[5-ethoxy-2-(3-phenoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 4309736
4-[2-(5-methyl-2-pyridinyl)-5-phenoxy-1H-indol-3-yl]butan-1-amine
CID 4310316
4-[5-phenoxy-2-(1,3-thiazol-2-yl)-1H-indol-3-yl]butan-1-amine
CID 5253116
4-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-phenoxy-1H-indol-3-yl]butan-1-amine
CID 3291203
4-[2-(8-methoxy-2-methylquinolin-5-yl)-5-phenyl-1H-indol-3-yl]butan-1-amine
CID 4281655
4-[5-butyl-2-(2-phenoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 4287301
4-(2-quinolin-5-yl-1H-indol-3-yl)butan-1-amine
CID 3891095
4-[2-(2-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]butan-1-amine
CID 4237687
4-[2-(2-methoxy-3-methylphenyl)-5-phenyl-1H-indol-3-yl]butan-1-amine
CID 4545221
4-[2-(4-methoxyquinolin-2-yl)-5-(trifluoromethoxy)-1H-indol-3-yl]butan-1-amine
CID 4543736

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylquinolin-5-yl)-5-phenoxy-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[2-(2-methylquinolin-5-yl)-5-phenoxy-1H-indol-3-yl]butan-1-amine (CID 3934944) is 4-[2-(2-methylquinolin-5-yl)-5-phenoxy-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[2-(2-methylquinolin-5-yl)-5-phenoxy-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[2-(2-methylquinolin-5-yl)-5-phenoxy-1H-indol-3-yl]butan-1-amine is Cc1ccc2c(-c3[nH]c4ccc(Oc5ccccc5)cc4c3CCCCN)cccc2n1.
What is the InChIKey of 4-[2-(2-methylquinolin-5-yl)-5-phenoxy-1H-indol-3-yl]butan-1-amine?
The InChIKey is RHZOVYQKGXHKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O/c1-19-13-15-22-23(11-7-12-26(22)30-19)28-24(10-5-6-17-29)25-18-21(14-16-27(25)31-28)32-20-8-3-2-4-9-20/h2-4,7-9,11-16,18,31H,5-6,10,17,29H2,1H3.
What are the key properties of 4-[2-(2-methylquinolin-5-yl)-5-phenoxy-1H-indol-3-yl]butan-1-amine?
4-[2-(2-methylquinolin-5-yl)-5-phenoxy-1H-indol-3-yl]butan-1-amine has a molecular weight of 421.54 g/mol, XLogP of 6.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylquinolin-5-yl)-5-phenoxy-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 3934944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).