(2-methylpyrrolidin-1-yl)-[8-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone

C23H31N3O2 — CID 67317523

IUPAC(2-methylpyrrolidin-1-yl)-[8-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone
SMILESCC(C)N1CCC(Oc2cccc3ccc(C(=O)N4CCCC4C)nc23)CC1
InChIInChI=1S/C23H31N3O2/c1-16(2)25-14-11-19(12-15-25)28-21-8-4-7-18-9-10-20(24-22(18)21)23(27)26-13-5-6-17(26)3/h4,7-10,16-17,19H,5-6,11-15H2,1-3H3
InChIKeyGCRQGYMVGMJYRR-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.11
Rot. Bonds4

About (2-methylpyrrolidin-1-yl)-[8-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone

(2-methylpyrrolidin-1-yl)-[8-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone (PubChem CID 67317523) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is (2-methylpyrrolidin-1-yl)-[8-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrrolidin-1-yl)-[8-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone
PubChem CID67317523
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name(2-methylpyrrolidin-1-yl)-[8-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone
SMILESCC(C)N1CCC(Oc2cccc3ccc(C(=O)N4CCCC4C)nc23)CC1
InChIInChI=1S/C23H31N3O2/c1-16(2)25-14-11-19(12-15-25)28-21-8-4-7-18-9-10-20(24-22(18)21)23(27)26-13-5-6-17(26)3/h4,7-10,16-17,19H,5-6,11-15H2,1-3H3
InChIKeyGCRQGYMVGMJYRR-UHFFFAOYSA-N
XLogP4.11
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrrolidin-1-yl)-[8-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone?
The IUPAC name of (2-methylpyrrolidin-1-yl)-[8-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone (CID 67317523) is (2-methylpyrrolidin-1-yl)-[8-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone.
What is the SMILES notation for (2-methylpyrrolidin-1-yl)-[8-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone?
The canonical SMILES for (2-methylpyrrolidin-1-yl)-[8-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone is CC(C)N1CCC(Oc2cccc3ccc(C(=O)N4CCCC4C)nc23)CC1.
What is the InChIKey of (2-methylpyrrolidin-1-yl)-[8-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone?
The InChIKey is GCRQGYMVGMJYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-16(2)25-14-11-19(12-15-25)28-21-8-4-7-18-9-10-20(24-22(18)21)23(27)26-13-5-6-17(26)3/h4,7-10,16-17,19H,5-6,11-15H2,1-3H3.
What are the key properties of (2-methylpyrrolidin-1-yl)-[8-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone?
(2-methylpyrrolidin-1-yl)-[8-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone has a molecular weight of 381.52 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrrolidin-1-yl)-[8-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone is sourced from PubChem (CID 67317523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).