N-[2-(oxan-3-yl)ethyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide

C20H26N2O3 — CID 166420180

IUPACN-[2-(oxan-3-yl)ethyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESC=CC(=O)N1CCCc2c(C(=O)NCCC3CCCOC3)cccc21
InChIInChI=1S/C20H26N2O3/c1-2-19(23)22-12-4-8-16-17(7-3-9-18(16)22)20(24)21-11-10-15-6-5-13-25-14-15/h2-3,7,9,15H,1,4-6,8,10-14H2,(H,21,24)
InChIKeyNTXKLGOBTGAAOT-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.70
Rot. Bonds5

About N-[2-(oxan-3-yl)ethyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide

N-[2-(oxan-3-yl)ethyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide (PubChem CID 166420180) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[2-(oxan-3-yl)ethyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[2-(oxan-3-yl)ethyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide
PubChem CID166420180
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[2-(oxan-3-yl)ethyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESC=CC(=O)N1CCCc2c(C(=O)NCCC3CCCOC3)cccc21
InChIInChI=1S/C20H26N2O3/c1-2-19(23)22-12-4-8-16-17(7-3-9-18(16)22)20(24)21-11-10-15-6-5-13-25-14-15/h2-3,7,9,15H,1,4-6,8,10-14H2,(H,21,24)
InChIKeyNTXKLGOBTGAAOT-UHFFFAOYSA-N
XLogP2.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(oxan-3-yl)ethyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-prop-2-enoyl-N-[3-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-2H-quinoline-5-carboxamide
CID 166420964
1-prop-2-enoyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3,4-dihydro-2H-quinoline-5-carboxamide
CID 166420947
3-[2-[2-(oxan-3-yl)ethylamino]-2-oxoethyl]benzoic acid
CID 136556483
N-(oxan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850075
N-[2-(oxan-3-yl)ethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
CID 122561785
N-[2-[(3R)-oxan-3-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 125434835
2-(2-cyclobutylethylcarbamoyl)benzoic acid
CID 113478591
1-[5-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one
CID 165439542
N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 167941126
3-(3-hydroxy-3-methylbutyl)-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide
CID 95894673
2-bromo-3-methyl-N-(oxan-3-ylmethyl)benzamide
CID 113338886
2-bromo-N-(2-cyclobutylethyl)-3-methylbenzamide
CID 103855320

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxan-3-yl)ethyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide?
The IUPAC name of N-[2-(oxan-3-yl)ethyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide (CID 166420180) is N-[2-(oxan-3-yl)ethyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide.
What is the SMILES notation for N-[2-(oxan-3-yl)ethyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide?
The canonical SMILES for N-[2-(oxan-3-yl)ethyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide is C=CC(=O)N1CCCc2c(C(=O)NCCC3CCCOC3)cccc21.
What is the InChIKey of N-[2-(oxan-3-yl)ethyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide?
The InChIKey is NTXKLGOBTGAAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-2-19(23)22-12-4-8-16-17(7-3-9-18(16)22)20(24)21-11-10-15-6-5-13-25-14-15/h2-3,7,9,15H,1,4-6,8,10-14H2,(H,21,24).
What are the key properties of N-[2-(oxan-3-yl)ethyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide?
N-[2-(oxan-3-yl)ethyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxan-3-yl)ethyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide is sourced from PubChem (CID 166420180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).