1-[3-(4-chloro-7-methoxy-4H-quinolin-1-yl)propyl]pyrrolidin-2-one

C17H21ClN2O2 — CID 70201281

IUPAC1-[3-(4-chloro-7-methoxy-4H-quinolin-1-yl)propyl]pyrrolidin-2-one
SMILESCOc1ccc2c(c1)N(CCCN1CCCC1=O)C=CC2Cl
InChIInChI=1S/C17H21ClN2O2/c1-22-13-5-6-14-15(18)7-11-19(16(14)12-13)9-3-10-20-8-2-4-17(20)21/h5-7,11-12,15H,2-4,8-10H2,1H3
InChIKeyHHYLZAPKVWYQKO-UHFFFAOYSA-N
MW320.82 g/mol
LogP3.32
Rot. Bonds5

About 1-[3-(4-chloro-7-methoxy-4H-quinolin-1-yl)propyl]pyrrolidin-2-one

1-[3-(4-chloro-7-methoxy-4H-quinolin-1-yl)propyl]pyrrolidin-2-one (PubChem CID 70201281) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is 1-[3-(4-chloro-7-methoxy-4H-quinolin-1-yl)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(4-chloro-7-methoxy-4H-quinolin-1-yl)propyl]pyrrolidin-2-one
PubChem CID70201281
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC Name1-[3-(4-chloro-7-methoxy-4H-quinolin-1-yl)propyl]pyrrolidin-2-one
SMILESCOc1ccc2c(c1)N(CCCN1CCCC1=O)C=CC2Cl
InChIInChI=1S/C17H21ClN2O2/c1-22-13-5-6-14-15(18)7-11-19(16(14)12-13)9-3-10-20-8-2-4-17(20)21/h5-7,11-12,15H,2-4,8-10H2,1H3
InChIKeyHHYLZAPKVWYQKO-UHFFFAOYSA-N
XLogP3.32
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(8-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyrrolidin-2-one
CID 71855025
1-[2-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]pyrrolidin-2-one
CID 170557199
1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94686427
6-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-2-carboxamide
CID 24949519
1-(4-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 2215682
5-methoxy-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide
CID 4971080
1-(1-butyl-6-methoxy-3,4-dihydro-2H-quinolin-4-yl)pyrrolidin-2-one
CID 11044863
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 42454269
1-(3-methoxyphenyl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
CID 111023053
(3R)-N-[(2,4-dimethoxyphenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 42287376
1-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 7544280
(3aR,6aS)-2-[(3,5-dimethoxyphenyl)methyl]-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
CID 91906023

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chloro-7-methoxy-4H-quinolin-1-yl)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(4-chloro-7-methoxy-4H-quinolin-1-yl)propyl]pyrrolidin-2-one (CID 70201281) is 1-[3-(4-chloro-7-methoxy-4H-quinolin-1-yl)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(4-chloro-7-methoxy-4H-quinolin-1-yl)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(4-chloro-7-methoxy-4H-quinolin-1-yl)propyl]pyrrolidin-2-one is COc1ccc2c(c1)N(CCCN1CCCC1=O)C=CC2Cl.
What is the InChIKey of 1-[3-(4-chloro-7-methoxy-4H-quinolin-1-yl)propyl]pyrrolidin-2-one?
The InChIKey is HHYLZAPKVWYQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c1-22-13-5-6-14-15(18)7-11-19(16(14)12-13)9-3-10-20-8-2-4-17(20)21/h5-7,11-12,15H,2-4,8-10H2,1H3.
What are the key properties of 1-[3-(4-chloro-7-methoxy-4H-quinolin-1-yl)propyl]pyrrolidin-2-one?
1-[3-(4-chloro-7-methoxy-4H-quinolin-1-yl)propyl]pyrrolidin-2-one has a molecular weight of 320.82 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chloro-7-methoxy-4H-quinolin-1-yl)propyl]pyrrolidin-2-one is sourced from PubChem (CID 70201281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).