(E)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]prop-2-enamide

C20H27N3O2 — CID 49024890

IUPAC(E)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]prop-2-enamide
SMILESCC(CN1CCCC1=O)NC(=O)/C=C/c1ccc2c(c1)CCCN2C
InChIInChI=1S/C20H27N3O2/c1-15(14-23-12-4-6-20(23)25)21-19(24)10-8-16-7-9-18-17(13-16)5-3-11-22(18)2/h7-10,13,15H,3-6,11-12,14H2,1-2H3,(H,21,24)/b10-8+
InChIKeyWZJPHEKPHALAMW-CSKARUKUSA-N
MW341.46 g/mol
LogP2.21
Rot. Bonds5

About (E)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]prop-2-enamide

(E)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]prop-2-enamide (PubChem CID 49024890) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is (E)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]prop-2-enamide
PubChem CID49024890
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name(E)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]prop-2-enamide
SMILESCC(CN1CCCC1=O)NC(=O)/C=C/c1ccc2c(c1)CCCN2C
InChIInChI=1S/C20H27N3O2/c1-15(14-23-12-4-6-20(23)25)21-19(24)10-8-16-7-9-18-17(13-16)5-3-11-22(18)2/h7-10,13,15H,3-6,11-12,14H2,1-2H3,(H,21,24)/b10-8+
InChIKeyWZJPHEKPHALAMW-CSKARUKUSA-N
XLogP2.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]prop-2-enamide (CID 49024890) is (E)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]prop-2-enamide is CC(CN1CCCC1=O)NC(=O)/C=C/c1ccc2c(c1)CCCN2C.
What is the InChIKey of (E)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]prop-2-enamide?
The InChIKey is WZJPHEKPHALAMW-CSKARUKUSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15(14-23-12-4-6-20(23)25)21-19(24)10-8-16-7-9-18-17(13-16)5-3-11-22(18)2/h7-10,13,15H,3-6,11-12,14H2,1-2H3,(H,21,24)/b10-8+.
What are the key properties of (E)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]prop-2-enamide?
(E)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]prop-2-enamide has a molecular weight of 341.46 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]prop-2-enamide is sourced from PubChem (CID 49024890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).