1-[3-(7-nitro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidin-2-one

C20H19N3O4 — CID 110309326

IUPAC1-[3-(7-nitro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cccc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c1
InChIInChI=1S/C20H19N3O4/c24-19-7-3-10-21(19)16-6-1-4-15(12-16)20(25)22-11-2-5-14-8-9-17(23(26)27)13-18(14)22/h1,4,6,8-9,12-13H,2-3,5,7,10-11H2
InChIKeySSPPFMOTXHVOTN-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.31
Rot. Bonds3

About 1-[3-(7-nitro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidin-2-one

1-[3-(7-nitro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidin-2-one (PubChem CID 110309326) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 1-[3-(7-nitro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(7-nitro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidin-2-one
PubChem CID110309326
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name1-[3-(7-nitro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cccc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c1
InChIInChI=1S/C20H19N3O4/c24-19-7-3-10-21(19)16-6-1-4-15(12-16)20(25)22-11-2-5-14-8-9-17(23(26)27)13-18(14)22/h1,4,6,8-9,12-13H,2-3,5,7,10-11H2
InChIKeySSPPFMOTXHVOTN-UHFFFAOYSA-N
XLogP3.31
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(7-nitro-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone
CID 110291906
1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidin-2-one
CID 27825940
1-[3-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidin-2-one
CID 27829776
1-[4-[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]pyrrolidin-2-one
CID 37161321
3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzonitrile
CID 16603335
1-(3-nitrophenyl)piperidin-2-one
CID 46786184
(2-methylphenyl)-(7-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110291907
ethane;1-(7-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 143533155
(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-nitrophenyl)methanone
CID 895005
N-[(E)-(4-nitrophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 6894458
N-(2-methoxy-5-nitrophenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 55394131
1-[3-[4-(5-nitrothiophene-2-carbonyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 46456227

Frequently Asked Questions

What is the IUPAC name of 1-[3-(7-nitro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(7-nitro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidin-2-one (CID 110309326) is 1-[3-(7-nitro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(7-nitro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(7-nitro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidin-2-one is O=C1CCCN1c1cccc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c1.
What is the InChIKey of 1-[3-(7-nitro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidin-2-one?
The InChIKey is SSPPFMOTXHVOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c24-19-7-3-10-21(19)16-6-1-4-15(12-16)20(25)22-11-2-5-14-8-9-17(23(26)27)13-18(14)22/h1,4,6,8-9,12-13H,2-3,5,7,10-11H2.
What are the key properties of 1-[3-(7-nitro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidin-2-one?
1-[3-(7-nitro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidin-2-one has a molecular weight of 365.39 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(7-nitro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 110309326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).