7-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one

C14H15ClN2O2 — CID 168509383

IUPAC7-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(N3CC(CCl)CC3=O)cc2N1
InChIInChI=1S/C14H15ClN2O2/c15-7-9-5-14(19)17(8-9)11-3-1-10-2-4-13(18)16-12(10)6-11/h1,3,6,9H,2,4-5,7-8H2,(H,16,18)
InChIKeyCZRSHBFGVOSBGW-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.16
Rot. Bonds2

About 7-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one

7-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 168509383) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 7-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID168509383
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name7-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(N3CC(CCl)CC3=O)cc2N1
InChIInChI=1S/C14H15ClN2O2/c15-7-9-5-14(19)17(8-9)11-3-1-10-2-4-13(18)16-12(10)6-11/h1,3,6,9H,2,4-5,7-8H2,(H,16,18)
InChIKeyCZRSHBFGVOSBGW-UHFFFAOYSA-N
XLogP2.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[5-oxo-1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)pyrrolidin-3-yl]methanesulfonamide
CID 168683059
[5-oxo-1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677572
5-oxo-1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)pyrrolidine-3-carboxamide
CID 168698309
4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one
CID 168508820
4-(chloromethyl)-1-(3,4-dibromophenyl)pyrrolidin-2-one
CID 168508786
4-(chloromethyl)-1-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)pyrrolidin-2-one
CID 168508813
5-(2-hydroxyethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-1,3-oxazolidin-2-one
CID 118940539
4-(chloromethyl)-1-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one
CID 168508834
4-(chloromethyl)-1-(4-fluoro-3-methylphenyl)pyrrolidin-2-one
CID 168507722
4-(chloromethyl)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 168509492
4-(chloromethyl)-1-(4-methoxy-3-methylphenyl)pyrrolidin-2-one
CID 168507729
1-(1,3-benzothiazol-5-yl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508876

Frequently Asked Questions

What is the IUPAC name of 7-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one (CID 168509383) is 7-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2ccc(N3CC(CCl)CC3=O)cc2N1.
What is the InChIKey of 7-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is CZRSHBFGVOSBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c15-7-9-5-14(19)17(8-9)11-3-1-10-2-4-13(18)16-12(10)6-11/h1,3,6,9H,2,4-5,7-8H2,(H,16,18).
What are the key properties of 7-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
7-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 278.74 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 168509383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).