8-chloro-2-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]-1H-quinolin-4-one

C17H20ClN3O2 — CID 72915360

IUPAC8-chloro-2-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]-1H-quinolin-4-one
SMILESO=C1CCCN1CCCNCc1cc(=O)c2cccc(Cl)c2[nH]1
InChIInChI=1S/C17H20ClN3O2/c18-14-5-1-4-13-15(22)10-12(20-17(13)14)11-19-7-3-9-21-8-2-6-16(21)23/h1,4-5,10,19H,2-3,6-9,11H2,(H,20,22)
InChIKeyRKQDYGJZQAZCCH-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.28
Rot. Bonds6

About 8-chloro-2-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]-1H-quinolin-4-one

8-chloro-2-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]-1H-quinolin-4-one (PubChem CID 72915360) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 8-chloro-2-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name8-chloro-2-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]-1H-quinolin-4-one
PubChem CID72915360
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name8-chloro-2-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]-1H-quinolin-4-one
SMILESO=C1CCCN1CCCNCc1cc(=O)c2cccc(Cl)c2[nH]1
InChIInChI=1S/C17H20ClN3O2/c18-14-5-1-4-13-15(22)10-12(20-17(13)14)11-19-7-3-9-21-8-2-6-16(21)23/h1,4-5,10,19H,2-3,6-9,11H2,(H,20,22)
InChIKeyRKQDYGJZQAZCCH-UHFFFAOYSA-N
XLogP2.28
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(naphthalen-1-ylmethylamino)propyl]pyrrolidin-2-one;hydrochloride
CID 17211895
1-[3-[(2,4-dichlorophenyl)methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17211943
1-[3-(benzylamino)propyl]pyrrolidin-2-one;hydrochloride
CID 17211877
1-[3-[(3,5-dichloro-2-methoxyphenyl)methylamino]propyl]pyrrolidin-2-one
CID 17212153
2-(8-chloro-4-oxo-1H-quinolin-2-yl)ethanethial
CID 87188682
1-[3-[(2-amino-6-hydroxyphenyl)methylamino]propyl]pyrrolidin-2-one
CID 69380578
1-[3-(furan-3-ylmethylamino)propyl]pyrrolidin-2-one
CID 115606925
1-[3-[(5-methylthiophen-2-yl)methylamino]propyl]pyrrolidin-2-one
CID 17211975
1-[(3,4-dichlorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea
CID 74227780
1-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propyl]pyrrolidin-2-one
CID 17211934
2-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]benzoic acid
CID 17212317
1-[3-(1H-indol-5-ylmethylamino)propyl]pyrrolidin-2-one
CID 17221800

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]-1H-quinolin-4-one?
The IUPAC name of 8-chloro-2-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]-1H-quinolin-4-one (CID 72915360) is 8-chloro-2-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 8-chloro-2-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]-1H-quinolin-4-one?
The canonical SMILES for 8-chloro-2-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]-1H-quinolin-4-one is O=C1CCCN1CCCNCc1cc(=O)c2cccc(Cl)c2[nH]1.
What is the InChIKey of 8-chloro-2-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]-1H-quinolin-4-one?
The InChIKey is RKQDYGJZQAZCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c18-14-5-1-4-13-15(22)10-12(20-17(13)14)11-19-7-3-9-21-8-2-6-16(21)23/h1,4-5,10,19H,2-3,6-9,11H2,(H,20,22).
What are the key properties of 8-chloro-2-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]-1H-quinolin-4-one?
8-chloro-2-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]-1H-quinolin-4-one has a molecular weight of 333.82 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 72915360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).