1-(2-chloroprop-2-enyl)-3-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-6,7-dimethoxyquinolin-2-one

C21H23ClN2O4 — CID 28809263

IUPAC1-(2-chloroprop-2-enyl)-3-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-6,7-dimethoxyquinolin-2-one
SMILESC=C(Cl)Cn1c(=O)c(CN[C@@H](C)c2ccco2)cc2cc(OC)c(OC)cc21
InChIInChI=1S/C21H23ClN2O4/c1-13(22)12-24-17-10-20(27-4)19(26-3)9-15(17)8-16(21(24)25)11-23-14(2)18-6-5-7-28-18/h5-10,14,23H,1,11-12H2,2-4H3/t14-/m0/s1
InChIKeyNDSRRUFAEMWHMN-AWEZNQCLSA-N
MW402.88 g/mol
LogP4.22
Rot. Bonds8

About 1-(2-chloroprop-2-enyl)-3-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-6,7-dimethoxyquinolin-2-one

1-(2-chloroprop-2-enyl)-3-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-6,7-dimethoxyquinolin-2-one (PubChem CID 28809263) has the molecular formula C21H23ClN2O4 and a molecular weight of 402.88 g/mol. Its IUPAC name is 1-(2-chloroprop-2-enyl)-3-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-6,7-dimethoxyquinolin-2-one.

Molecular Properties

Compound Name1-(2-chloroprop-2-enyl)-3-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-6,7-dimethoxyquinolin-2-one
PubChem CID28809263
Molecular FormulaC21H23ClN2O4
Molecular Weight402.88 g/mol
Exact Mass402.13
IUPAC Name1-(2-chloroprop-2-enyl)-3-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-6,7-dimethoxyquinolin-2-one
SMILESC=C(Cl)Cn1c(=O)c(CN[C@@H](C)c2ccco2)cc2cc(OC)c(OC)cc21
InChIInChI=1S/C21H23ClN2O4/c1-13(22)12-24-17-10-20(27-4)19(26-3)9-15(17)8-16(21(24)25)11-23-14(2)18-6-5-7-28-18/h5-10,14,23H,1,11-12H2,2-4H3/t14-/m0/s1
InChIKeyNDSRRUFAEMWHMN-AWEZNQCLSA-N
XLogP4.22
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-chloroprop-2-enyl)-3-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-6,7-dimethoxyquinolin-2-one with MolForge

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Related Compounds

1-(2-chloroprop-2-enyl)-6,7-dimethoxy-3-[[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylamino]methyl]quinolin-2-one
CID 42164867
(1S)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403898
N-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 43400255
4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-2,6-dimethoxyphenol
CID 81402939
(1S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81402570
2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135751347
2-[6,7-dimethoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
CID 20922007
methyl 3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylate
CID 81402967
(1R)-N-[(2-bromo-5-methoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81400902
2-bromo-4-[[1-(furan-2-yl)ethylamino]methyl]-6-methoxyphenol
CID 43400285
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 9482211
2-[6,7-dimethoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 18591142

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroprop-2-enyl)-3-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-6,7-dimethoxyquinolin-2-one?
The IUPAC name of 1-(2-chloroprop-2-enyl)-3-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-6,7-dimethoxyquinolin-2-one (CID 28809263) is 1-(2-chloroprop-2-enyl)-3-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-6,7-dimethoxyquinolin-2-one.
What is the SMILES notation for 1-(2-chloroprop-2-enyl)-3-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-6,7-dimethoxyquinolin-2-one?
The canonical SMILES for 1-(2-chloroprop-2-enyl)-3-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-6,7-dimethoxyquinolin-2-one is C=C(Cl)Cn1c(=O)c(CN[C@@H](C)c2ccco2)cc2cc(OC)c(OC)cc21.
What is the InChIKey of 1-(2-chloroprop-2-enyl)-3-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-6,7-dimethoxyquinolin-2-one?
The InChIKey is NDSRRUFAEMWHMN-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H23ClN2O4/c1-13(22)12-24-17-10-20(27-4)19(26-3)9-15(17)8-16(21(24)25)11-23-14(2)18-6-5-7-28-18/h5-10,14,23H,1,11-12H2,2-4H3/t14-/m0/s1.
What are the key properties of 1-(2-chloroprop-2-enyl)-3-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-6,7-dimethoxyquinolin-2-one?
1-(2-chloroprop-2-enyl)-3-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-6,7-dimethoxyquinolin-2-one has a molecular weight of 402.88 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroprop-2-enyl)-3-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-6,7-dimethoxyquinolin-2-one is sourced from PubChem (CID 28809263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).