5-propan-2-yl-2-pyrrolidin-1-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline

C29H32N4 — CID 71455247

IUPAC5-propan-2-yl-2-pyrrolidin-1-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline
SMILESCC(C)c1cc(-c2cc3ccccc3nc2N2CCCC2)cc2nc(N3CCCC3)ccc12
InChIInChI=1S/C29H32N4/c1-20(2)24-18-22(19-27-23(24)11-12-28(30-27)32-13-5-6-14-32)25-17-21-9-3-4-10-26(21)31-29(25)33-15-7-8-16-33/h3-4,9-12,17-20H,5-8,13-16H2,1-2H3
InChIKeyDSHIYQICPHMNAF-UHFFFAOYSA-N
MW436.60 g/mol
LogP6.77
Rot. Bonds4

About 5-propan-2-yl-2-pyrrolidin-1-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline

5-propan-2-yl-2-pyrrolidin-1-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline (PubChem CID 71455247) has the molecular formula C29H32N4 and a molecular weight of 436.60 g/mol. Its IUPAC name is 5-propan-2-yl-2-pyrrolidin-1-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline.

Molecular Properties

Compound Name5-propan-2-yl-2-pyrrolidin-1-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline
PubChem CID71455247
Molecular FormulaC29H32N4
Molecular Weight436.60 g/mol
Exact Mass436.26
IUPAC Name5-propan-2-yl-2-pyrrolidin-1-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline
SMILESCC(C)c1cc(-c2cc3ccccc3nc2N2CCCC2)cc2nc(N3CCCC3)ccc12
InChIInChI=1S/C29H32N4/c1-20(2)24-18-22(19-27-23(24)11-12-28(30-27)32-13-5-6-14-32)25-17-21-9-3-4-10-26(21)31-29(25)33-15-7-8-16-33/h3-4,9-12,17-20H,5-8,13-16H2,1-2H3
InChIKeyDSHIYQICPHMNAF-UHFFFAOYSA-N
XLogP6.77
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-2-(1-piperidinyl)quinoline
CID 230710
6-(4-Methyl-piperazin-1-yl)-phenanthridine
CID 9993659
1,4,8-Trimethyl-12-quinolino[2,3-b]quinolinamine
CID 865238
5-[[3-(Aminomethyl)phenyl]methyl]-3-Pentyl-Quinolin-2-Amine
CID 121231447
6-(4-Methyl-piperazin-1-yl)-7,8,9,10-tetrahydro-8,10-ethanophenanthridine
CID 10447948
6-(4-Methyl-piperazin-1-yl)-7,8,9,10-tetrahydro-phenanthridine
CID 44286463
4-Ethyl-3-methyl-2-(4-methylpiperazin-1-yl)quinoline
CID 44304233
(R)-2-(4-methylpiperidin-1-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 46890347
7-methyl-1-phenyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline
CID 1263646
6-Piperidin-1-yl-phenanthridine
CID 2853903
2-(4-Methylpiperazin-1-yl)-4-phenylquinoline
CID 721629
6-(4-Methyl-piperazin-1-yl)-benzo[k]phenanthridine
CID 10381797

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-pyrrolidin-1-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline?
The IUPAC name of 5-propan-2-yl-2-pyrrolidin-1-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline (CID 71455247) is 5-propan-2-yl-2-pyrrolidin-1-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline.
What is the SMILES notation for 5-propan-2-yl-2-pyrrolidin-1-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline?
The canonical SMILES for 5-propan-2-yl-2-pyrrolidin-1-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline is CC(C)c1cc(-c2cc3ccccc3nc2N2CCCC2)cc2nc(N3CCCC3)ccc12.
What is the InChIKey of 5-propan-2-yl-2-pyrrolidin-1-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline?
The InChIKey is DSHIYQICPHMNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4/c1-20(2)24-18-22(19-27-23(24)11-12-28(30-27)32-13-5-6-14-32)25-17-21-9-3-4-10-26(21)31-29(25)33-15-7-8-16-33/h3-4,9-12,17-20H,5-8,13-16H2,1-2H3.
What are the key properties of 5-propan-2-yl-2-pyrrolidin-1-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline?
5-propan-2-yl-2-pyrrolidin-1-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline has a molecular weight of 436.60 g/mol, XLogP of 6.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-pyrrolidin-1-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline is sourced from PubChem (CID 71455247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).