1-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]phenyl]pyridin-4-one

C27H27N3O — CID 11531634

IUPAC1-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]phenyl]pyridin-4-one
SMILESC[C@@H]1CCCN1CCc1ccc2nc(-c3ccc(-n4ccc(=O)cc4)cc3)ccc2c1
InChIInChI=1S/C27H27N3O/c1-20-3-2-15-29(20)16-12-21-4-10-27-23(19-21)7-11-26(28-27)22-5-8-24(9-6-22)30-17-13-25(31)14-18-30/h4-11,13-14,17-20H,2-3,12,15-16H2,1H3/t20-/m1/s1
InChIKeyAFPODXVEPNVDCE-HXUWFJFHSA-N
MW409.53 g/mol
LogP5.08
Rot. Bonds5

About 1-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]phenyl]pyridin-4-one

1-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]phenyl]pyridin-4-one (PubChem CID 11531634) has the molecular formula C27H27N3O and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]phenyl]pyridin-4-one.

Molecular Properties

Compound Name1-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]phenyl]pyridin-4-one
PubChem CID11531634
Molecular FormulaC27H27N3O
Molecular Weight409.53 g/mol
Exact Mass409.22
IUPAC Name1-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]phenyl]pyridin-4-one
SMILESC[C@@H]1CCCN1CCc1ccc2nc(-c3ccc(-n4ccc(=O)cc4)cc3)ccc2c1
InChIInChI=1S/C27H27N3O/c1-20-3-2-15-29(20)16-12-21-4-10-27-23(19-21)7-11-26(28-27)22-5-8-24(9-6-22)30-17-13-25(31)14-18-30/h4-11,13-14,17-20H,2-3,12,15-16H2,1H3/t20-/m1/s1
InChIKeyAFPODXVEPNVDCE-HXUWFJFHSA-N
XLogP5.08
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]phenyl]pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]phenyl]pyridin-4-one?
The IUPAC name of 1-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]phenyl]pyridin-4-one (CID 11531634) is 1-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]phenyl]pyridin-4-one.
What is the SMILES notation for 1-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]phenyl]pyridin-4-one?
The canonical SMILES for 1-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]phenyl]pyridin-4-one is C[C@@H]1CCCN1CCc1ccc2nc(-c3ccc(-n4ccc(=O)cc4)cc3)ccc2c1.
What is the InChIKey of 1-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]phenyl]pyridin-4-one?
The InChIKey is AFPODXVEPNVDCE-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H27N3O/c1-20-3-2-15-29(20)16-12-21-4-10-27-23(19-21)7-11-26(28-27)22-5-8-24(9-6-22)30-17-13-25(31)14-18-30/h4-11,13-14,17-20H,2-3,12,15-16H2,1H3/t20-/m1/s1.
What are the key properties of 1-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]phenyl]pyridin-4-one?
1-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]phenyl]pyridin-4-one has a molecular weight of 409.53 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]phenyl]pyridin-4-one is sourced from PubChem (CID 11531634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).