1-(2-chloroquinolin-4-yl)-4-(hydroxymethyl)pyrrolidin-2-one

C14H13ClN2O2 — CID 168664003

IUPAC1-(2-chloroquinolin-4-yl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1cc(Cl)nc2ccccc12
InChIInChI=1S/C14H13ClN2O2/c15-13-6-12(10-3-1-2-4-11(10)16-13)17-7-9(8-18)5-14(17)19/h1-4,6,9,18H,5,7-8H2
InChIKeyMGRDVBWMHKEAPZ-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.23
Rot. Bonds2

About 1-(2-chloroquinolin-4-yl)-4-(hydroxymethyl)pyrrolidin-2-one

1-(2-chloroquinolin-4-yl)-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 168664003) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 1-(2-chloroquinolin-4-yl)-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-chloroquinolin-4-yl)-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID168664003
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name1-(2-chloroquinolin-4-yl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1cc(Cl)nc2ccccc12
InChIInChI=1S/C14H13ClN2O2/c15-13-6-12(10-3-1-2-4-11(10)16-13)17-7-9(8-18)5-14(17)19/h1-4,6,9,18H,5,7-8H2
InChIKeyMGRDVBWMHKEAPZ-UHFFFAOYSA-N
XLogP2.23
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-(2-chloroquinolin-4-yl)pyrrolidin-2-one
CID 168701052
1-(2-chloroquinolin-4-yl)-4-sulfanylpyrrolidin-2-one
CID 168710443
1-(3-amino-2,6-dichloro-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663479
S-[[1-(2-methylquinolin-4-yl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168667426
4-(azidomethyl)-1-(2-methylquinolin-4-yl)pyrrolidin-2-one
CID 168657014
1-(2-chloro-5-hydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663464
(2-chloroquinolin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 104920816
1-(5-bromonaphthalen-1-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663904
4-(hydroxymethyl)-1-(8-methylquinolin-5-yl)pyrrolidin-2-one
CID 168662622
1-[2-(2-hydroxyethyl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663882
4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one
CID 168663566
1-(2,4-dichloro-5-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663323

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroquinolin-4-yl)-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-chloroquinolin-4-yl)-4-(hydroxymethyl)pyrrolidin-2-one (CID 168664003) is 1-(2-chloroquinolin-4-yl)-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-chloroquinolin-4-yl)-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-chloroquinolin-4-yl)-4-(hydroxymethyl)pyrrolidin-2-one is O=C1CC(CO)CN1c1cc(Cl)nc2ccccc12.
What is the InChIKey of 1-(2-chloroquinolin-4-yl)-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is MGRDVBWMHKEAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-13-6-12(10-3-1-2-4-11(10)16-13)17-7-9(8-18)5-14(17)19/h1-4,6,9,18H,5,7-8H2.
What are the key properties of 1-(2-chloroquinolin-4-yl)-4-(hydroxymethyl)pyrrolidin-2-one?
1-(2-chloroquinolin-4-yl)-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 276.72 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroquinolin-4-yl)-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 168664003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).