(4S)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide

C21H23N3O3 — CID 95144233

IUPAC(4S)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESC/C(=C\c1ccco1)[C@@H]1CC(=O)Nc2cc(N3CCCC3)c(C(N)=O)cc21
InChIInChI=1S/C21H23N3O3/c1-13(9-14-5-4-8-27-14)15-11-20(25)23-18-12-19(24-6-2-3-7-24)17(21(22)26)10-16(15)18/h4-5,8-10,12,15H,2-3,6-7,11H2,1H3,(H2,22,26)(H,23,25)/b13-9+/t15-/m0/s1
InChIKeyDRHZRJHJYRXXOG-GLNPCMGASA-N
MW365.43 g/mol
LogP3.51
Rot. Bonds4

About (4S)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide

(4S)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 95144233) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is (4S)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound Name(4S)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID95144233
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name(4S)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESC/C(=C\c1ccco1)[C@@H]1CC(=O)Nc2cc(N3CCCC3)c(C(N)=O)cc21
InChIInChI=1S/C21H23N3O3/c1-13(9-14-5-4-8-27-14)15-11-20(25)23-18-12-19(24-6-2-3-7-24)17(21(22)26)10-16(15)18/h4-5,8-10,12,15H,2-3,6-7,11H2,1H3,(H2,22,26)(H,23,25)/b13-9+/t15-/m0/s1
InChIKeyDRHZRJHJYRXXOG-GLNPCMGASA-N
XLogP3.51
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of (4S)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide (CID 95144233) is (4S)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for (4S)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for (4S)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide is C/C(=C\c1ccco1)[C@@H]1CC(=O)Nc2cc(N3CCCC3)c(C(N)=O)cc21.
What is the InChIKey of (4S)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is DRHZRJHJYRXXOG-GLNPCMGASA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13(9-14-5-4-8-27-14)15-11-20(25)23-18-12-19(24-6-2-3-7-24)17(21(22)26)10-16(15)18/h4-5,8-10,12,15H,2-3,6-7,11H2,1H3,(H2,22,26)(H,23,25)/b13-9+/t15-/m0/s1.
What are the key properties of (4S)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide?
(4S)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 95144233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).