2-[1-(6-bromo-2-methylquinolin-4-yl)pyrrolidin-3-yl]-1H-pyrimidin-6-one

C18H17BrN4O — CID 166292007

IUPAC2-[1-(6-bromo-2-methylquinolin-4-yl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
SMILESCc1cc(N2CCC(c3nccc(=O)[nH]3)C2)c2cc(Br)ccc2n1
InChIInChI=1S/C18H17BrN4O/c1-11-8-16(14-9-13(19)2-3-15(14)21-11)23-7-5-12(10-23)18-20-6-4-17(24)22-18/h2-4,6,8-9,12H,5,7,10H2,1H3,(H,20,22,24)
InChIKeyZDAPABVNUDSFJX-UHFFFAOYSA-N
MW385.27 g/mol
LogP3.38
Rot. Bonds2

About 2-[1-(6-bromo-2-methylquinolin-4-yl)pyrrolidin-3-yl]-1H-pyrimidin-6-one

2-[1-(6-bromo-2-methylquinolin-4-yl)pyrrolidin-3-yl]-1H-pyrimidin-6-one (PubChem CID 166292007) has the molecular formula C18H17BrN4O and a molecular weight of 385.27 g/mol. Its IUPAC name is 2-[1-(6-bromo-2-methylquinolin-4-yl)pyrrolidin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-(6-bromo-2-methylquinolin-4-yl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
PubChem CID166292007
Molecular FormulaC18H17BrN4O
Molecular Weight385.27 g/mol
Exact Mass384.06
IUPAC Name2-[1-(6-bromo-2-methylquinolin-4-yl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
SMILESCc1cc(N2CCC(c3nccc(=O)[nH]3)C2)c2cc(Br)ccc2n1
InChIInChI=1S/C18H17BrN4O/c1-11-8-16(14-9-13(19)2-3-15(14)21-11)23-7-5-12(10-23)18-20-6-4-17(24)22-18/h2-4,6,8-9,12H,5,7,10H2,1H3,(H,20,22,24)
InChIKeyZDAPABVNUDSFJX-UHFFFAOYSA-N
XLogP3.38
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(6-bromo-2-methylquinolin-4-yl)pyrrolidin-3-yl]-1H-pyrimidin-6-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 2-[1-(6-bromo-2-methylquinolin-4-yl)pyrrolidin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[1-(6-bromo-2-methylquinolin-4-yl)pyrrolidin-3-yl]-1H-pyrimidin-6-one (CID 166292007) is 2-[1-(6-bromo-2-methylquinolin-4-yl)pyrrolidin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[1-(6-bromo-2-methylquinolin-4-yl)pyrrolidin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[1-(6-bromo-2-methylquinolin-4-yl)pyrrolidin-3-yl]-1H-pyrimidin-6-one is Cc1cc(N2CCC(c3nccc(=O)[nH]3)C2)c2cc(Br)ccc2n1.
What is the InChIKey of 2-[1-(6-bromo-2-methylquinolin-4-yl)pyrrolidin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is ZDAPABVNUDSFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O/c1-11-8-16(14-9-13(19)2-3-15(14)21-11)23-7-5-12(10-23)18-20-6-4-17(24)22-18/h2-4,6,8-9,12H,5,7,10H2,1H3,(H,20,22,24).
What are the key properties of 2-[1-(6-bromo-2-methylquinolin-4-yl)pyrrolidin-3-yl]-1H-pyrimidin-6-one?
2-[1-(6-bromo-2-methylquinolin-4-yl)pyrrolidin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 385.27 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-bromo-2-methylquinolin-4-yl)pyrrolidin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 166292007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).