(4S)-4-(2-methylphenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione

C19H15NO3 — CID 7426431

IUPAC(4S)-4-(2-methylphenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
SMILESCc1ccccc1[C@@H]1CC(=O)Oc2c1c(=O)[nH]c1ccccc21
InChIInChI=1S/C19H15NO3/c1-11-6-2-3-7-12(11)14-10-16(21)23-18-13-8-4-5-9-15(13)20-19(22)17(14)18/h2-9,14H,10H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyIIUWKGHWSHKISY-AWEZNQCLSA-N
MW305.33 g/mol
LogP3.28
Rot. Bonds1

About (4S)-4-(2-methylphenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione

(4S)-4-(2-methylphenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione (PubChem CID 7426431) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is (4S)-4-(2-methylphenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione.

Molecular Properties

Compound Name(4S)-4-(2-methylphenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
PubChem CID7426431
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name(4S)-4-(2-methylphenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
SMILESCc1ccccc1[C@@H]1CC(=O)Oc2c1c(=O)[nH]c1ccccc21
InChIInChI=1S/C19H15NO3/c1-11-6-2-3-7-12(11)14-10-16(21)23-18-13-8-4-5-9-15(13)20-19(22)17(14)18/h2-9,14H,10H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyIIUWKGHWSHKISY-AWEZNQCLSA-N
XLogP3.28
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-[2-(trifluoromethyl)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
CID 7220900
(4R)-4-thiophen-3-yl-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
CID 7220907
(4S)-4-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
CID 51688966
(4R)-6-methyl-4-(2-methylphenyl)-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione
CID 7425774
4-cyclopropyl-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
CID 6324683
(4R)-4-[3-(trifluoromethyl)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
CID 7220904
6-(2-bromophenyl)-3-oxa-9-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),11,13,15,17-hexaene-4,8-dione
CID 169452341
(4R)-8-methyl-4-phenyl-3,4-dihydrochromen-2-one
CID 804457
(4S)-6-chloro-5-methyl-4-(2-methylphenyl)-3,4-dihydrochromen-2-one
CID 6540098
(4R)-2-amino-4-(2-methoxyphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile
CID 7556269
13-(3,4-dimethoxybenzoyl)-2-oxa-10,16-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,17,19,21-octaene-11,15-dione
CID 132600532
5,8-dimethyl-4-phenyl-3,4-dihydrochromen-2-one
CID 102288918

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-methylphenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione?
The IUPAC name of (4S)-4-(2-methylphenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione (CID 7426431) is (4S)-4-(2-methylphenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione.
What is the SMILES notation for (4S)-4-(2-methylphenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione?
The canonical SMILES for (4S)-4-(2-methylphenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione is Cc1ccccc1[C@@H]1CC(=O)Oc2c1c(=O)[nH]c1ccccc21.
What is the InChIKey of (4S)-4-(2-methylphenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione?
The InChIKey is IIUWKGHWSHKISY-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H15NO3/c1-11-6-2-3-7-12(11)14-10-16(21)23-18-13-8-4-5-9-15(13)20-19(22)17(14)18/h2-9,14H,10H2,1H3,(H,20,22)/t14-/m0/s1.
What are the key properties of (4S)-4-(2-methylphenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione?
(4S)-4-(2-methylphenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione has a molecular weight of 305.33 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-methylphenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione is sourced from PubChem (CID 7426431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).