N-[(8-methylquinolin-6-yl)methyl]-N-[1-(oxolan-2-yl)ethyl]prop-2-enamide

C20H24N2O2 — CID 154881273

IUPACN-[(8-methylquinolin-6-yl)methyl]-N-[1-(oxolan-2-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)N(Cc1cc(C)c2ncccc2c1)C(C)C1CCCO1
InChIInChI=1S/C20H24N2O2/c1-4-19(23)22(15(3)18-8-6-10-24-18)13-16-11-14(2)20-17(12-16)7-5-9-21-20/h4-5,7,9,11-12,15,18H,1,6,8,10,13H2,2-3H3
InChIKeyUHSYIZUAOPCHOW-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.63
Rot. Bonds5

About N-[(8-methylquinolin-6-yl)methyl]-N-[1-(oxolan-2-yl)ethyl]prop-2-enamide

N-[(8-methylquinolin-6-yl)methyl]-N-[1-(oxolan-2-yl)ethyl]prop-2-enamide (PubChem CID 154881273) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[(8-methylquinolin-6-yl)methyl]-N-[1-(oxolan-2-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(8-methylquinolin-6-yl)methyl]-N-[1-(oxolan-2-yl)ethyl]prop-2-enamide
PubChem CID154881273
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[(8-methylquinolin-6-yl)methyl]-N-[1-(oxolan-2-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)N(Cc1cc(C)c2ncccc2c1)C(C)C1CCCO1
InChIInChI=1S/C20H24N2O2/c1-4-19(23)22(15(3)18-8-6-10-24-18)13-16-11-14(2)20-17(12-16)7-5-9-21-20/h4-5,7,9,11-12,15,18H,1,6,8,10,13H2,2-3H3
InChIKeyUHSYIZUAOPCHOW-UHFFFAOYSA-N
XLogP3.63
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.63
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

8-methyl-6-(2-methylpropyl)quinoline
CID 146222256
1-[(1R)-1-[(2R)-oxolan-2-yl]propyl]-3-(quinolin-6-ylmethyl)urea
CID 99840951
1-[(1S)-1-[(2R)-oxolan-2-yl]propyl]-3-(quinolin-6-ylmethyl)urea
CID 99840950
methyl 3-(8-methylquinolin-6-yl)propanoate
CID 82578281
6-methyl-1-[(8-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid
CID 122124527
2-[methyl-[[(2S)-4-[(8-methylquinolin-6-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 164639926
N-methyl-1-[(8-methylquinolin-6-yl)methyl]-N-phenylpyrrolidine-3-carboxamide
CID 166228442
2-(2,4-dimethylphenyl)sulfanyl-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 55609530
N-(1-ethylpiperidin-3-yl)-N-(quinolin-8-ylmethyl)prop-2-enamide
CID 154879689
1-(8-methylquinolin-6-yl)ethanol
CID 82576101
N-(6-methylquinolin-8-yl)-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
CID 99830523
1-[[(2S)-oxolan-2-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-quinolin-8-ylurea
CID 95152122

Frequently Asked Questions

What is the IUPAC name of N-[(8-methylquinolin-6-yl)methyl]-N-[1-(oxolan-2-yl)ethyl]prop-2-enamide?
The IUPAC name of N-[(8-methylquinolin-6-yl)methyl]-N-[1-(oxolan-2-yl)ethyl]prop-2-enamide (CID 154881273) is N-[(8-methylquinolin-6-yl)methyl]-N-[1-(oxolan-2-yl)ethyl]prop-2-enamide.
What is the SMILES notation for N-[(8-methylquinolin-6-yl)methyl]-N-[1-(oxolan-2-yl)ethyl]prop-2-enamide?
The canonical SMILES for N-[(8-methylquinolin-6-yl)methyl]-N-[1-(oxolan-2-yl)ethyl]prop-2-enamide is C=CC(=O)N(Cc1cc(C)c2ncccc2c1)C(C)C1CCCO1.
What is the InChIKey of N-[(8-methylquinolin-6-yl)methyl]-N-[1-(oxolan-2-yl)ethyl]prop-2-enamide?
The InChIKey is UHSYIZUAOPCHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-4-19(23)22(15(3)18-8-6-10-24-18)13-16-11-14(2)20-17(12-16)7-5-9-21-20/h4-5,7,9,11-12,15,18H,1,6,8,10,13H2,2-3H3.
What are the key properties of N-[(8-methylquinolin-6-yl)methyl]-N-[1-(oxolan-2-yl)ethyl]prop-2-enamide?
N-[(8-methylquinolin-6-yl)methyl]-N-[1-(oxolan-2-yl)ethyl]prop-2-enamide has a molecular weight of 324.42 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methylquinolin-6-yl)methyl]-N-[1-(oxolan-2-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 154881273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).