N-[4-[3-(1-methylindol-3-yl)propyl]phenyl]quinolin-4-amine

C27H25N3 — CID 58170707

IUPACN-[4-[3-(1-methylindol-3-yl)propyl]phenyl]quinolin-4-amine
SMILESCn1cc(CCCc2ccc(Nc3ccnc4ccccc34)cc2)c2ccccc21
InChIInChI=1S/C27H25N3/c1-30-19-21(23-9-3-5-12-27(23)30)8-6-7-20-13-15-22(16-14-20)29-26-17-18-28-25-11-4-2-10-24(25)26/h2-5,9-19H,6-8H2,1H3,(H,28,29)
InChIKeyFAINXZSPLRPOEO-UHFFFAOYSA-N
MW391.52 g/mol
LogP6.65
Rot. Bonds6

About N-[4-[3-(1-methylindol-3-yl)propyl]phenyl]quinolin-4-amine

N-[4-[3-(1-methylindol-3-yl)propyl]phenyl]quinolin-4-amine (PubChem CID 58170707) has the molecular formula C27H25N3 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[4-[3-(1-methylindol-3-yl)propyl]phenyl]quinolin-4-amine.

Molecular Properties

Compound NameN-[4-[3-(1-methylindol-3-yl)propyl]phenyl]quinolin-4-amine
PubChem CID58170707
Molecular FormulaC27H25N3
Molecular Weight391.52 g/mol
Exact Mass391.20
IUPAC NameN-[4-[3-(1-methylindol-3-yl)propyl]phenyl]quinolin-4-amine
SMILESCn1cc(CCCc2ccc(Nc3ccnc4ccccc34)cc2)c2ccccc21
InChIInChI=1S/C27H25N3/c1-30-19-21(23-9-3-5-12-27(23)30)8-6-7-20-13-15-22(16-14-20)29-26-17-18-28-25-11-4-2-10-24(25)26/h2-5,9-19H,6-8H2,1H3,(H,28,29)
InChIKeyFAINXZSPLRPOEO-UHFFFAOYSA-N
XLogP6.65
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.52
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(1-methylindol-3-yl)propyl]phenyl]quinolin-4-amine?
The IUPAC name of N-[4-[3-(1-methylindol-3-yl)propyl]phenyl]quinolin-4-amine (CID 58170707) is N-[4-[3-(1-methylindol-3-yl)propyl]phenyl]quinolin-4-amine.
What is the SMILES notation for N-[4-[3-(1-methylindol-3-yl)propyl]phenyl]quinolin-4-amine?
The canonical SMILES for N-[4-[3-(1-methylindol-3-yl)propyl]phenyl]quinolin-4-amine is Cn1cc(CCCc2ccc(Nc3ccnc4ccccc34)cc2)c2ccccc21.
What is the InChIKey of N-[4-[3-(1-methylindol-3-yl)propyl]phenyl]quinolin-4-amine?
The InChIKey is FAINXZSPLRPOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3/c1-30-19-21(23-9-3-5-12-27(23)30)8-6-7-20-13-15-22(16-14-20)29-26-17-18-28-25-11-4-2-10-24(25)26/h2-5,9-19H,6-8H2,1H3,(H,28,29).
What are the key properties of N-[4-[3-(1-methylindol-3-yl)propyl]phenyl]quinolin-4-amine?
N-[4-[3-(1-methylindol-3-yl)propyl]phenyl]quinolin-4-amine has a molecular weight of 391.52 g/mol, XLogP of 6.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(1-methylindol-3-yl)propyl]phenyl]quinolin-4-amine is sourced from PubChem (CID 58170707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).