4-(5-bromoquinolin-8-yl)-5-ethylpyrrolidin-2-one

C15H15BrN2O — CID 112618670

IUPAC4-(5-bromoquinolin-8-yl)-5-ethylpyrrolidin-2-one
SMILESCCC1NC(=O)CC1c1ccc(Br)c2cccnc12
InChIInChI=1S/C15H15BrN2O/c1-2-13-11(8-14(19)18-13)9-5-6-12(16)10-4-3-7-17-15(9)10/h3-7,11,13H,2,8H2,1H3,(H,18,19)
InChIKeyMIBYCMIEFULORA-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.38
Rot. Bonds2

About 4-(5-bromoquinolin-8-yl)-5-ethylpyrrolidin-2-one

4-(5-bromoquinolin-8-yl)-5-ethylpyrrolidin-2-one (PubChem CID 112618670) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 4-(5-bromoquinolin-8-yl)-5-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(5-bromoquinolin-8-yl)-5-ethylpyrrolidin-2-one
PubChem CID112618670
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name4-(5-bromoquinolin-8-yl)-5-ethylpyrrolidin-2-one
SMILESCCC1NC(=O)CC1c1ccc(Br)c2cccnc12
InChIInChI=1S/C15H15BrN2O/c1-2-13-11(8-14(19)18-13)9-5-6-12(16)10-4-3-7-17-15(9)10/h3-7,11,13H,2,8H2,1H3,(H,18,19)
InChIKeyMIBYCMIEFULORA-UHFFFAOYSA-N
XLogP3.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-8-(2-methylpyrrolidin-3-yl)quinoline
CID 112618368
2-(5-bromoquinolin-8-yl)cyclopropan-1-amine
CID 112618257
5-ethyl-4-(6-methoxy-2-pyridinyl)pyrrolidin-2-one
CID 103348678
4-(5-chloroquinolin-8-yl)azetidin-2-one
CID 112618582
5-bromo-8-(5-methylpyrrolidin-3-yl)quinoline
CID 112618555
2-(5-bromoquinolin-8-yl)-6-methyl-1,3-thiazinane
CID 112618396
5-(5-bromoquinolin-8-yl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine
CID 115960680
2-(5-bromoquinolin-8-yl)-5-methyl-1,3-thiazinane
CID 112618394
5-bromo-8-ethoxyquinoline
CID 100612531
1-[(5-bromoquinolin-8-yl)methyl]-3-methylpyrrolidine-2,5-dione
CID 75520404
2-(5-bromoquinolin-8-yl)-1-cyclopropylpyrrolidin-3-amine
CID 115960457
5-ethyl-4-(3-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 66108724

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromoquinolin-8-yl)-5-ethylpyrrolidin-2-one?
The IUPAC name of 4-(5-bromoquinolin-8-yl)-5-ethylpyrrolidin-2-one (CID 112618670) is 4-(5-bromoquinolin-8-yl)-5-ethylpyrrolidin-2-one.
What is the SMILES notation for 4-(5-bromoquinolin-8-yl)-5-ethylpyrrolidin-2-one?
The canonical SMILES for 4-(5-bromoquinolin-8-yl)-5-ethylpyrrolidin-2-one is CCC1NC(=O)CC1c1ccc(Br)c2cccnc12.
What is the InChIKey of 4-(5-bromoquinolin-8-yl)-5-ethylpyrrolidin-2-one?
The InChIKey is MIBYCMIEFULORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-2-13-11(8-14(19)18-13)9-5-6-12(16)10-4-3-7-17-15(9)10/h3-7,11,13H,2,8H2,1H3,(H,18,19).
What are the key properties of 4-(5-bromoquinolin-8-yl)-5-ethylpyrrolidin-2-one?
4-(5-bromoquinolin-8-yl)-5-ethylpyrrolidin-2-one has a molecular weight of 319.20 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromoquinolin-8-yl)-5-ethylpyrrolidin-2-one is sourced from PubChem (CID 112618670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).