2-phenyl-N-[(6-pyrrolidin-1-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]propan-1-amine

C24H27N3O2 — CID 45178837

IUPAC2-phenyl-N-[(6-pyrrolidin-1-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]propan-1-amine
SMILESCC(CNCc1cc2cc3c(cc2nc1N1CCCC1)OCO3)c1ccccc1
InChIInChI=1S/C24H27N3O2/c1-17(18-7-3-2-4-8-18)14-25-15-20-11-19-12-22-23(29-16-28-22)13-21(19)26-24(20)27-9-5-6-10-27/h2-4,7-8,11-13,17,25H,5-6,9-10,14-16H2,1H3
InChIKeyLARLAADTFNVREN-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.46
Rot. Bonds6

About 2-phenyl-N-[(6-pyrrolidin-1-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]propan-1-amine

2-phenyl-N-[(6-pyrrolidin-1-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]propan-1-amine (PubChem CID 45178837) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-phenyl-N-[(6-pyrrolidin-1-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-phenyl-N-[(6-pyrrolidin-1-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]propan-1-amine
PubChem CID45178837
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name2-phenyl-N-[(6-pyrrolidin-1-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]propan-1-amine
SMILESCC(CNCc1cc2cc3c(cc2nc1N1CCCC1)OCO3)c1ccccc1
InChIInChI=1S/C24H27N3O2/c1-17(18-7-3-2-4-8-18)14-25-15-20-11-19-12-22-23(29-16-28-22)13-21(19)26-24(20)27-9-5-6-10-27/h2-4,7-8,11-13,17,25H,5-6,9-10,14-16H2,1H3
InChIKeyLARLAADTFNVREN-UHFFFAOYSA-N
XLogP4.46
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(6-pyrrolidin-1-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]propan-1-amine?
The IUPAC name of 2-phenyl-N-[(6-pyrrolidin-1-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]propan-1-amine (CID 45178837) is 2-phenyl-N-[(6-pyrrolidin-1-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-phenyl-N-[(6-pyrrolidin-1-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]propan-1-amine?
The canonical SMILES for 2-phenyl-N-[(6-pyrrolidin-1-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]propan-1-amine is CC(CNCc1cc2cc3c(cc2nc1N1CCCC1)OCO3)c1ccccc1.
What is the InChIKey of 2-phenyl-N-[(6-pyrrolidin-1-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]propan-1-amine?
The InChIKey is LARLAADTFNVREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-17(18-7-3-2-4-8-18)14-25-15-20-11-19-12-22-23(29-16-28-22)13-21(19)26-24(20)27-9-5-6-10-27/h2-4,7-8,11-13,17,25H,5-6,9-10,14-16H2,1H3.
What are the key properties of 2-phenyl-N-[(6-pyrrolidin-1-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]propan-1-amine?
2-phenyl-N-[(6-pyrrolidin-1-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]propan-1-amine has a molecular weight of 389.50 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(6-pyrrolidin-1-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]propan-1-amine is sourced from PubChem (CID 45178837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).