(E)-1-[4-(pyrrolidine-1-carbonyl)phenyl]-3-quinolin-2-ylprop-2-en-1-one

C23H20N2O2 — CID 11595580

IUPAC(E)-1-[4-(pyrrolidine-1-carbonyl)phenyl]-3-quinolin-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc2ccccc2n1)c1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C23H20N2O2/c26-22(14-13-20-12-11-17-5-1-2-6-21(17)24-20)18-7-9-19(10-8-18)23(27)25-15-3-4-16-25/h1-2,5-14H,3-4,15-16H2/b14-13+
InChIKeySDMOBHGALVLEJH-BUHFOSPRSA-N
MW356.43 g/mol
LogP4.37
Rot. Bonds4

About (E)-1-[4-(pyrrolidine-1-carbonyl)phenyl]-3-quinolin-2-ylprop-2-en-1-one

(E)-1-[4-(pyrrolidine-1-carbonyl)phenyl]-3-quinolin-2-ylprop-2-en-1-one (PubChem CID 11595580) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is (E)-1-[4-(pyrrolidine-1-carbonyl)phenyl]-3-quinolin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-(pyrrolidine-1-carbonyl)phenyl]-3-quinolin-2-ylprop-2-en-1-one
PubChem CID11595580
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name(E)-1-[4-(pyrrolidine-1-carbonyl)phenyl]-3-quinolin-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc2ccccc2n1)c1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C23H20N2O2/c26-22(14-13-20-12-11-17-5-1-2-6-21(17)24-20)18-7-9-19(10-8-18)23(27)25-15-3-4-16-25/h1-2,5-14H,3-4,15-16H2/b14-13+
InChIKeySDMOBHGALVLEJH-BUHFOSPRSA-N
XLogP4.37
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-[4-(4-acetylpiperazine-1-carbonyl)phenyl]-3-quinolin-2-ylprop-2-en-1-one
CID 11718577
1-[4-(3-quinolin-2-ylprop-2-enoyl)benzoyl]piperidine-4-carboxylic acid
CID 67013380
1-pyridin-4-yl-3-quinolin-2-ylprop-2-en-1-one
CID 74395294
(E)-1-naphthalen-2-yl-3-quinolin-2-ylprop-2-en-1-one
CID 66760009
1-[4-[(E)-3-quinolin-2-ylprop-2-enoyl]benzoyl]pyrrolidine-2-carboxamide
CID 11538566
(E)-1-[4-(4-hydroxyiminopiperidine-1-carbonyl)phenyl]-3-quinoxalin-2-ylprop-2-en-1-one
CID 11531426
N,N-dimethyl-1-[4-(3-quinoxalin-2-ylprop-2-enoyl)benzoyl]piperidine-4-carboxamide
CID 67014900
(E)-1-[4-(4-pyridin-4-ylpiperazine-1-carbonyl)phenyl]-3-quinoxalin-2-ylprop-2-en-1-one
CID 11662362
1-[4-(4-pyridin-4-ylpiperazine-1-carbonyl)phenyl]-3-quinoxalin-2-ylprop-2-en-1-one
CID 67013230
azepan-1-yl(quinolin-2-yl)methanone
CID 7779308
4-morpholin-4-yl-2-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)phenyl]prop-1-enyl]quinoline-6-carboxylic acid
CID 141127616
4-hydroxy-3-[(E)-3-[4-[(E)-2-quinolin-2-ylethenyl]phenyl]prop-2-enoyl]benzoic acid
CID 10622076

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-(pyrrolidine-1-carbonyl)phenyl]-3-quinolin-2-ylprop-2-en-1-one?
The IUPAC name of (E)-1-[4-(pyrrolidine-1-carbonyl)phenyl]-3-quinolin-2-ylprop-2-en-1-one (CID 11595580) is (E)-1-[4-(pyrrolidine-1-carbonyl)phenyl]-3-quinolin-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[4-(pyrrolidine-1-carbonyl)phenyl]-3-quinolin-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-[4-(pyrrolidine-1-carbonyl)phenyl]-3-quinolin-2-ylprop-2-en-1-one is O=C(/C=C/c1ccc2ccccc2n1)c1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of (E)-1-[4-(pyrrolidine-1-carbonyl)phenyl]-3-quinolin-2-ylprop-2-en-1-one?
The InChIKey is SDMOBHGALVLEJH-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H20N2O2/c26-22(14-13-20-12-11-17-5-1-2-6-21(17)24-20)18-7-9-19(10-8-18)23(27)25-15-3-4-16-25/h1-2,5-14H,3-4,15-16H2/b14-13+.
What are the key properties of (E)-1-[4-(pyrrolidine-1-carbonyl)phenyl]-3-quinolin-2-ylprop-2-en-1-one?
(E)-1-[4-(pyrrolidine-1-carbonyl)phenyl]-3-quinolin-2-ylprop-2-en-1-one has a molecular weight of 356.43 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-(pyrrolidine-1-carbonyl)phenyl]-3-quinolin-2-ylprop-2-en-1-one is sourced from PubChem (CID 11595580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).