(4R)-2-oxo-4-[(E)-2-phenylethenyl]-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide

C22H23N3O2 — CID 95119603

IUPAC(4R)-2-oxo-4-[(E)-2-phenylethenyl]-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESNC(=O)c1cc2c(cc1N1CCCC1)NC(=O)C[C@@H]2/C=C/c1ccccc1
InChIInChI=1S/C22H23N3O2/c23-22(27)18-13-17-16(9-8-15-6-2-1-3-7-15)12-21(26)24-19(17)14-20(18)25-10-4-5-11-25/h1-3,6-9,13-14,16H,4-5,10-12H2,(H2,23,27)(H,24,26)/b9-8+/t16-/m0/s1
InChIKeyAXRCILNIINJKID-FDMDGMSGSA-N
MW361.45 g/mol
LogP3.52
Rot. Bonds4

About (4R)-2-oxo-4-[(E)-2-phenylethenyl]-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide

(4R)-2-oxo-4-[(E)-2-phenylethenyl]-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 95119603) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is (4R)-2-oxo-4-[(E)-2-phenylethenyl]-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound Name(4R)-2-oxo-4-[(E)-2-phenylethenyl]-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID95119603
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name(4R)-2-oxo-4-[(E)-2-phenylethenyl]-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESNC(=O)c1cc2c(cc1N1CCCC1)NC(=O)C[C@@H]2/C=C/c1ccccc1
InChIInChI=1S/C22H23N3O2/c23-22(27)18-13-17-16(9-8-15-6-2-1-3-7-15)12-21(26)24-19(17)14-20(18)25-10-4-5-11-25/h1-3,6-9,13-14,16H,4-5,10-12H2,(H2,23,27)(H,24,26)/b9-8+/t16-/m0/s1
InChIKeyAXRCILNIINJKID-FDMDGMSGSA-N
XLogP3.52
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S)-2-oxo-4-pyridin-2-yl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide
CID 95140597
(4R)-2-oxo-4-piperidin-4-yl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide
CID 95149170
(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
(4R)-4-(2-methylsulfanylethyl)-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide
CID 95132095
4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide
CID 169416286
4-(2,6-dioxopiperidin-4-yl)-2-piperidin-1-ylbenzamide
CID 69277245
2-[(E)-2-phenylethenyl]cyclopropan-1-one
CID 141437037
2-[7,7-dimethyl-2,5-dioxo-4-[(E)-2-phenylethenyl]-3,4,6,8-tetrahydroquinolin-1-yl]benzamide
CID 23744015
4-chloro-2-pyrrolidin-1-ylbenzamide
CID 175755085
5-(hydroxymethyl)-2-piperidin-1-ylbenzamide
CID 68506696
3-pyrrolidin-1-ylnaphthalene-2-carboxylic acid
CID 79679992
(2-pyrrolidin-1-ylphenyl)-thiomorpholin-4-ylmethanone
CID 168513754

Frequently Asked Questions

What is the IUPAC name of (4R)-2-oxo-4-[(E)-2-phenylethenyl]-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of (4R)-2-oxo-4-[(E)-2-phenylethenyl]-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide (CID 95119603) is (4R)-2-oxo-4-[(E)-2-phenylethenyl]-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for (4R)-2-oxo-4-[(E)-2-phenylethenyl]-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for (4R)-2-oxo-4-[(E)-2-phenylethenyl]-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide is NC(=O)c1cc2c(cc1N1CCCC1)NC(=O)C[C@@H]2/C=C/c1ccccc1.
What is the InChIKey of (4R)-2-oxo-4-[(E)-2-phenylethenyl]-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is AXRCILNIINJKID-FDMDGMSGSA-N. The full InChI is InChI=1S/C22H23N3O2/c23-22(27)18-13-17-16(9-8-15-6-2-1-3-7-15)12-21(26)24-19(17)14-20(18)25-10-4-5-11-25/h1-3,6-9,13-14,16H,4-5,10-12H2,(H2,23,27)(H,24,26)/b9-8+/t16-/m0/s1.
What are the key properties of (4R)-2-oxo-4-[(E)-2-phenylethenyl]-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide?
(4R)-2-oxo-4-[(E)-2-phenylethenyl]-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-oxo-4-[(E)-2-phenylethenyl]-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 95119603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).