4-hydroxy-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3,4-dihydro-2H-quinoline-1-carboxamide

C22H26N2O2 — CID 110636838

IUPAC4-hydroxy-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(O)c3ccccc32)c1
InChIInChI=1S/C22H26N2O2/c1-15(2)16-8-7-9-17(14-16)22(3,4)23-21(26)24-13-12-20(25)18-10-5-6-11-19(18)24/h5-11,14,20,25H,1,12-13H2,2-4H3,(H,23,26)
InChIKeyUVRZZVJHTLJWIM-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.61
Rot. Bonds3

About 4-hydroxy-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3,4-dihydro-2H-quinoline-1-carboxamide

4-hydroxy-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 110636838) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 4-hydroxy-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID110636838
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name4-hydroxy-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(O)c3ccccc32)c1
InChIInChI=1S/C22H26N2O2/c1-15(2)16-8-7-9-17(14-16)22(3,4)23-21(26)24-13-12-20(25)18-10-5-6-11-19(18)24/h5-11,14,20,25H,1,12-13H2,2-4H3,(H,23,26)
InChIKeyUVRZZVJHTLJWIM-UHFFFAOYSA-N
XLogP4.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyano-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide
CID 110314986
3-methyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide
CID 2892125
4-benzoyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide
CID 110364709
7-methoxy-4-oxo-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-2,3-dihydroquinoline-1-carboxamide
CID 110635638
4-cycloheptyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide
CID 3857182
2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
CID 22967201
tert-butyl (4R)-4-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 124566960
cyclopropylmethyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
CID 22966825
1-cyclohexyl-1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 19168372
(3-hydroxycyclohexyl)methyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
CID 89309898
(2S,4S)-4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 87448366
(1R,5S)-1,3,3-trimethyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 2327057

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of 4-hydroxy-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3,4-dihydro-2H-quinoline-1-carboxamide (CID 110636838) is 4-hydroxy-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3,4-dihydro-2H-quinoline-1-carboxamide is C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(O)c3ccccc32)c1.
What is the InChIKey of 4-hydroxy-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is UVRZZVJHTLJWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-15(2)16-8-7-9-17(14-16)22(3,4)23-21(26)24-13-12-20(25)18-10-5-6-11-19(18)24/h5-11,14,20,25H,1,12-13H2,2-4H3,(H,23,26).
What are the key properties of 4-hydroxy-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3,4-dihydro-2H-quinoline-1-carboxamide?
4-hydroxy-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 110636838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).