N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-2,6-dimethylquinoline-3-carboxamide

C19H19N3O3 — CID 95282065

IUPACN-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-2,6-dimethylquinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)N(C3CC3)[C@H]3CC(=O)NC3=O)cc2c1
InChIInChI=1S/C19H19N3O3/c1-10-3-6-15-12(7-10)8-14(11(2)20-15)19(25)22(13-4-5-13)16-9-17(23)21-18(16)24/h3,6-8,13,16H,4-5,9H2,1-2H3,(H,21,23,24)/t16-/m0/s1
InChIKeyCGZAGPFKVCGMGL-INIZCTEOSA-N
MW337.38 g/mol
LogP1.87
Rot. Bonds3

About N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-2,6-dimethylquinoline-3-carboxamide

N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-2,6-dimethylquinoline-3-carboxamide (PubChem CID 95282065) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-2,6-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-2,6-dimethylquinoline-3-carboxamide
PubChem CID95282065
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-2,6-dimethylquinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)N(C3CC3)[C@H]3CC(=O)NC3=O)cc2c1
InChIInChI=1S/C19H19N3O3/c1-10-3-6-15-12(7-10)8-14(11(2)20-15)19(25)22(13-4-5-13)16-9-17(23)21-18(16)24/h3,6-8,13,16H,4-5,9H2,1-2H3,(H,21,23,24)/t16-/m0/s1
InChIKeyCGZAGPFKVCGMGL-INIZCTEOSA-N
XLogP1.87
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-(Dimethylamino)ethyl)acridine-4-carboxamide
CID 107805
Rhetsinine
CID 99652
Olinone
CID 91668531
4-[(3S)-3-(but-2-ynoylamino)piperidin-1-yl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 121293916
9-amino-N-(3-(dimethylamino)propyl)acridine-4-carboxamide
CID 150238
4-Methyl-1H-pyrrolo(3,4-c)quinoline-1,3(2H)-dione
CID 611339
4-Acridinecarboxamide, 9-amino-N-[2-(dimethylamino)ethyl]-5-methyl-
CID 150223
SN-28049
CID 9862688
2,4-Dimethyl-pyrrolo[3,4-c]quinoline-1,3-dione
CID 706730
N-((4-dimethylamino)butyl)-9-aminoacridine-4-carboxamide
CID 124660
9-Amino-N-(2-(dimethylamino)ethyl)-4-acridinecarboxamide
CID 128962
Indolyl quinolinone deriv. 10
CID 5329376

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-2,6-dimethylquinoline-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-2,6-dimethylquinoline-3-carboxamide (CID 95282065) is N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-2,6-dimethylquinoline-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-2,6-dimethylquinoline-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-2,6-dimethylquinoline-3-carboxamide is Cc1ccc2nc(C)c(C(=O)N(C3CC3)[C@H]3CC(=O)NC3=O)cc2c1.
What is the InChIKey of N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-2,6-dimethylquinoline-3-carboxamide?
The InChIKey is CGZAGPFKVCGMGL-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-10-3-6-15-12(7-10)8-14(11(2)20-15)19(25)22(13-4-5-13)16-9-17(23)21-18(16)24/h3,6-8,13,16H,4-5,9H2,1-2H3,(H,21,23,24)/t16-/m0/s1.
What are the key properties of N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-2,6-dimethylquinoline-3-carboxamide?
N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-2,6-dimethylquinoline-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-2,6-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 95282065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).