(4R)-4-(3-ethenylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one

C19H19NO3 — CID 95119643

IUPAC(4R)-4-(3-ethenylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESC=Cc1cccc([C@H]2CC(=O)Nc3cc(OC)cc(OC)c32)c1
InChIInChI=1S/C19H19NO3/c1-4-12-6-5-7-13(8-12)15-11-18(21)20-16-9-14(22-2)10-17(23-3)19(15)16/h4-10,15H,1,11H2,2-3H3,(H,20,21)/t15-/m1/s1
InChIKeyPHKSFRZZFAXXAN-OAHLLOKOSA-N
MW309.37 g/mol
LogP3.82
Rot. Bonds4

About (4R)-4-(3-ethenylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one

(4R)-4-(3-ethenylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 95119643) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is (4R)-4-(3-ethenylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4R)-4-(3-ethenylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID95119643
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name(4R)-4-(3-ethenylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESC=Cc1cccc([C@H]2CC(=O)Nc3cc(OC)cc(OC)c32)c1
InChIInChI=1S/C19H19NO3/c1-4-12-6-5-7-13(8-12)15-11-18(21)20-16-9-14(22-2)10-17(23-3)19(15)16/h4-10,15H,1,11H2,2-3H3,(H,20,21)/t15-/m1/s1
InChIKeyPHKSFRZZFAXXAN-OAHLLOKOSA-N
XLogP3.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 7248901
4-(4-bromophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 17312450
4-(3-bromo-4-methylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 17312454
(4S)-4-(3,5-difluorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 40645350
5,7-dimethoxy-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 17312453
4-(2-fluoro-3-methoxyphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 169422029
4-(2-chlorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 2997112
(4R)-4-(2-ethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 7248757
4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 84628790
(4S)-5,7-dimethoxy-4-[(E)-pent-2-en-2-yl]-3,4-dihydro-1H-quinolin-2-one
CID 95125676
7-(3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 16763371
6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 6624972

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-ethenylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4R)-4-(3-ethenylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one (CID 95119643) is (4R)-4-(3-ethenylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4R)-4-(3-ethenylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4R)-4-(3-ethenylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one is C=Cc1cccc([C@H]2CC(=O)Nc3cc(OC)cc(OC)c32)c1.
What is the InChIKey of (4R)-4-(3-ethenylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is PHKSFRZZFAXXAN-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19NO3/c1-4-12-6-5-7-13(8-12)15-11-18(21)20-16-9-14(22-2)10-17(23-3)19(15)16/h4-10,15H,1,11H2,2-3H3,(H,20,21)/t15-/m1/s1.
What are the key properties of (4R)-4-(3-ethenylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
(4R)-4-(3-ethenylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 309.37 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-ethenylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 95119643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).