[1-(6,7-diethoxyquinolin-4-yl)pyrrolidin-2-yl]methanol

C18H24N2O3 — CID 75512282

IUPAC[1-(6,7-diethoxyquinolin-4-yl)pyrrolidin-2-yl]methanol
SMILESCCOc1cc2nccc(N3CCCC3CO)c2cc1OCC
InChIInChI=1S/C18H24N2O3/c1-3-22-17-10-14-15(11-18(17)23-4-2)19-8-7-16(14)20-9-5-6-13(20)12-21/h7-8,10-11,13,21H,3-6,9,12H2,1-2H3
InChIKeyGHESFDIOVVYUMS-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.99
Rot. Bonds6

About [1-(6,7-diethoxyquinolin-4-yl)pyrrolidin-2-yl]methanol

[1-(6,7-diethoxyquinolin-4-yl)pyrrolidin-2-yl]methanol (PubChem CID 75512282) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is [1-(6,7-diethoxyquinolin-4-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(6,7-diethoxyquinolin-4-yl)pyrrolidin-2-yl]methanol
PubChem CID75512282
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name[1-(6,7-diethoxyquinolin-4-yl)pyrrolidin-2-yl]methanol
SMILESCCOc1cc2nccc(N3CCCC3CO)c2cc1OCC
InChIInChI=1S/C18H24N2O3/c1-3-22-17-10-14-15(11-18(17)23-4-2)19-8-7-16(14)20-9-5-6-13(20)12-21/h7-8,10-11,13,21H,3-6,9,12H2,1-2H3
InChIKeyGHESFDIOVVYUMS-UHFFFAOYSA-N
XLogP2.99
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(6,7-diethoxyquinolin-4-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(6,7-diethoxyquinolin-4-yl)pyrrolidin-2-yl]methanol (CID 75512282) is [1-(6,7-diethoxyquinolin-4-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(6,7-diethoxyquinolin-4-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(6,7-diethoxyquinolin-4-yl)pyrrolidin-2-yl]methanol is CCOc1cc2nccc(N3CCCC3CO)c2cc1OCC.
What is the InChIKey of [1-(6,7-diethoxyquinolin-4-yl)pyrrolidin-2-yl]methanol?
The InChIKey is GHESFDIOVVYUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-3-22-17-10-14-15(11-18(17)23-4-2)19-8-7-16(14)20-9-5-6-13(20)12-21/h7-8,10-11,13,21H,3-6,9,12H2,1-2H3.
What are the key properties of [1-(6,7-diethoxyquinolin-4-yl)pyrrolidin-2-yl]methanol?
[1-(6,7-diethoxyquinolin-4-yl)pyrrolidin-2-yl]methanol has a molecular weight of 316.40 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6,7-diethoxyquinolin-4-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 75512282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).