7-[(4-methoxyphenyl)-pyrrolidin-1-ylmethyl]quinolin-8-ol

C21H22N2O2 — CID 4289694

IUPAC7-[(4-methoxyphenyl)-pyrrolidin-1-ylmethyl]quinolin-8-ol
SMILESCOc1ccc(C(c2ccc3cccnc3c2O)N2CCCC2)cc1
InChIInChI=1S/C21H22N2O2/c1-25-17-9-6-16(7-10-17)20(23-13-2-3-14-23)18-11-8-15-5-4-12-22-19(15)21(18)24/h4-12,20,24H,2-3,13-14H2,1H3
InChIKeyAXDPHPBMRZQULH-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.13
Rot. Bonds4

About 7-[(4-methoxyphenyl)-pyrrolidin-1-ylmethyl]quinolin-8-ol

7-[(4-methoxyphenyl)-pyrrolidin-1-ylmethyl]quinolin-8-ol (PubChem CID 4289694) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 7-[(4-methoxyphenyl)-pyrrolidin-1-ylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(4-methoxyphenyl)-pyrrolidin-1-ylmethyl]quinolin-8-ol
PubChem CID4289694
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name7-[(4-methoxyphenyl)-pyrrolidin-1-ylmethyl]quinolin-8-ol
SMILESCOc1ccc(C(c2ccc3cccnc3c2O)N2CCCC2)cc1
InChIInChI=1S/C21H22N2O2/c1-25-17-9-6-16(7-10-17)20(23-13-2-3-14-23)18-11-8-15-5-4-12-22-19(15)21(18)24/h4-12,20,24H,2-3,13-14H2,1H3
InChIKeyAXDPHPBMRZQULH-UHFFFAOYSA-N
XLogP4.13
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-methoxyphenyl)-pyrrolidin-1-ylmethyl]quinolin-8-ol?
The IUPAC name of 7-[(4-methoxyphenyl)-pyrrolidin-1-ylmethyl]quinolin-8-ol (CID 4289694) is 7-[(4-methoxyphenyl)-pyrrolidin-1-ylmethyl]quinolin-8-ol.
What is the SMILES notation for 7-[(4-methoxyphenyl)-pyrrolidin-1-ylmethyl]quinolin-8-ol?
The canonical SMILES for 7-[(4-methoxyphenyl)-pyrrolidin-1-ylmethyl]quinolin-8-ol is COc1ccc(C(c2ccc3cccnc3c2O)N2CCCC2)cc1.
What is the InChIKey of 7-[(4-methoxyphenyl)-pyrrolidin-1-ylmethyl]quinolin-8-ol?
The InChIKey is AXDPHPBMRZQULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-25-17-9-6-16(7-10-17)20(23-13-2-3-14-23)18-11-8-15-5-4-12-22-19(15)21(18)24/h4-12,20,24H,2-3,13-14H2,1H3.
What are the key properties of 7-[(4-methoxyphenyl)-pyrrolidin-1-ylmethyl]quinolin-8-ol?
7-[(4-methoxyphenyl)-pyrrolidin-1-ylmethyl]quinolin-8-ol has a molecular weight of 334.42 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methoxyphenyl)-pyrrolidin-1-ylmethyl]quinolin-8-ol is sourced from PubChem (CID 4289694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).