7-methoxy-4-oxo-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-2,3-dihydroquinoline-1-carboxamide

C23H26N2O3 — CID 110635638

IUPAC7-methoxy-4-oxo-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-2,3-dihydroquinoline-1-carboxamide
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(=O)c3ccc(OC)cc32)c1
InChIInChI=1S/C23H26N2O3/c1-15(2)16-7-6-8-17(13-16)23(3,4)24-22(27)25-12-11-21(26)19-10-9-18(28-5)14-20(19)25/h6-10,13-14H,1,11-12H2,2-5H3,(H,24,27)
InChIKeyRZVFOYOBQHXPOJ-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.77
Rot. Bonds4

About 7-methoxy-4-oxo-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-2,3-dihydroquinoline-1-carboxamide

7-methoxy-4-oxo-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-2,3-dihydroquinoline-1-carboxamide (PubChem CID 110635638) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 7-methoxy-4-oxo-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-2,3-dihydroquinoline-1-carboxamide.

Molecular Properties

Compound Name7-methoxy-4-oxo-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-2,3-dihydroquinoline-1-carboxamide
PubChem CID110635638
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name7-methoxy-4-oxo-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-2,3-dihydroquinoline-1-carboxamide
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(=O)c3ccc(OC)cc32)c1
InChIInChI=1S/C23H26N2O3/c1-15(2)16-7-6-8-17(13-16)23(3,4)24-22(27)25-12-11-21(26)19-10-9-18(28-5)14-20(19)25/h6-10,13-14H,1,11-12H2,2-5H3,(H,24,27)
InChIKeyRZVFOYOBQHXPOJ-UHFFFAOYSA-N
XLogP4.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-methoxy-4-oxo-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-2,3-dihydroquinoline-1-carboxamide with MolForge

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Related Compounds

4-hydroxy-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110636838
1-(3-fluorobenzoyl)-7-methoxy-2,3-dihydroquinolin-4-one
CID 110635602
1-(2,5-dimethoxyphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 1371293
4-benzoyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide
CID 110364709
4-cyano-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide
CID 110314986
1-(4-fluorobenzoyl)-7-methoxy-2,3-dihydroquinolin-4-one
CID 110635603
3-methyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide
CID 2892125
4-cycloheptyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide
CID 3857182
2-[2-(7-methoxy-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 110635632
2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
CID 22967201
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 110290964
N-tert-butyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-carboxamide
CID 114336650

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-oxo-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-2,3-dihydroquinoline-1-carboxamide?
The IUPAC name of 7-methoxy-4-oxo-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-2,3-dihydroquinoline-1-carboxamide (CID 110635638) is 7-methoxy-4-oxo-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-2,3-dihydroquinoline-1-carboxamide.
What is the SMILES notation for 7-methoxy-4-oxo-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-2,3-dihydroquinoline-1-carboxamide?
The canonical SMILES for 7-methoxy-4-oxo-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-2,3-dihydroquinoline-1-carboxamide is C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(=O)c3ccc(OC)cc32)c1.
What is the InChIKey of 7-methoxy-4-oxo-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-2,3-dihydroquinoline-1-carboxamide?
The InChIKey is RZVFOYOBQHXPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-15(2)16-7-6-8-17(13-16)23(3,4)24-22(27)25-12-11-21(26)19-10-9-18(28-5)14-20(19)25/h6-10,13-14H,1,11-12H2,2-5H3,(H,24,27).
What are the key properties of 7-methoxy-4-oxo-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-2,3-dihydroquinoline-1-carboxamide?
7-methoxy-4-oxo-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-2,3-dihydroquinoline-1-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-oxo-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-2,3-dihydroquinoline-1-carboxamide is sourced from PubChem (CID 110635638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).