(4S)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-4-(1-methyl-2-oxoquinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione

C27H24N2O5 — CID 99998799

IUPAC(4S)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-4-(1-methyl-2-oxoquinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@H](c1cc3ccccc3n(C)c1=O)CC(=O)O2
InChIInChI=1S/C27H24N2O5/c1-16-13-23-25(27(33)29(16)12-11-17-7-9-19(30)10-8-17)20(15-24(31)34-23)21-14-18-5-3-4-6-22(18)28(2)26(21)32/h3-10,13-14,20,30H,11-12,15H2,1-2H3/t20-/m0/s1
InChIKeyJQKVEBILFXOUHP-FQEVSTJZSA-N
MW456.50 g/mol
LogP3.40
Rot. Bonds4

About (4S)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-4-(1-methyl-2-oxoquinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione

(4S)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-4-(1-methyl-2-oxoquinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione (PubChem CID 99998799) has the molecular formula C27H24N2O5 and a molecular weight of 456.50 g/mol. Its IUPAC name is (4S)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-4-(1-methyl-2-oxoquinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name(4S)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-4-(1-methyl-2-oxoquinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
PubChem CID99998799
Molecular FormulaC27H24N2O5
Molecular Weight456.50 g/mol
Exact Mass456.17
IUPAC Name(4S)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-4-(1-methyl-2-oxoquinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@H](c1cc3ccccc3n(C)c1=O)CC(=O)O2
InChIInChI=1S/C27H24N2O5/c1-16-13-23-25(27(33)29(16)12-11-17-7-9-19(30)10-8-17)20(15-24(31)34-23)21-14-18-5-3-4-6-22(18)28(2)26(21)32/h3-10,13-14,20,30H,11-12,15H2,1-2H3/t20-/m0/s1
InChIKeyJQKVEBILFXOUHP-FQEVSTJZSA-N
XLogP3.40
TPSA90.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4S)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-4-(1-methyl-2-oxoquinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione with MolForge

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Launch Full Analysis

Related Compounds

(4R)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-4-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 99999817
(4S)-4-(2H-chromen-3-yl)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 124878874
(4S)-7-methyl-4-(1-methyl-2-oxoquinolin-3-yl)-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 97045869
(10R)-5-hydroxy-10-(1-methyl-2-oxoquinolin-3-yl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424971
3-[(4S)-6-(4-chlorobenzoyl)-5-hydroxy-2-oxo-3,4-dihydrochromen-4-yl]-1-methylquinolin-2-one
CID 125122090
3-(4-hydroxyphenyl)-10-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 75492565
(4S)-6,7-dimethyl-4-(2-oxo-1H-benzo[g]quinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 125431387
(4R)-4-(4-methoxynaphthalen-1-yl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 125433547
(4S)-6,7-dimethyl-4-[2-(pyridin-2-ylmethoxy)phenyl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 125431494
(4R)-7-methyl-4-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 97045799
(4S,20R)-22-hydroxy-4-methyl-20-(1-methyl-2-oxoquinolin-3-yl)-3,17-dioxatricyclo[12.8.0.016,21]docosa-1(22),12,14,16(21)-tetraene-2,8,18-trione
CID 163086556
(4R,12E,20S)-22-hydroxy-4-methyl-20-(1-methyl-2-oxoquinolin-3-yl)-3,17-dioxatricyclo[12.8.0.016,21]docosa-1(22),12,14,16(21)-tetraene-2,8,18-trione
CID 96544280

Frequently Asked Questions

What is the IUPAC name of (4S)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-4-(1-methyl-2-oxoquinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of (4S)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-4-(1-methyl-2-oxoquinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione (CID 99998799) is (4S)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-4-(1-methyl-2-oxoquinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for (4S)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-4-(1-methyl-2-oxoquinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for (4S)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-4-(1-methyl-2-oxoquinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione is Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@H](c1cc3ccccc3n(C)c1=O)CC(=O)O2.
What is the InChIKey of (4S)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-4-(1-methyl-2-oxoquinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is JQKVEBILFXOUHP-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H24N2O5/c1-16-13-23-25(27(33)29(16)12-11-17-7-9-19(30)10-8-17)20(15-24(31)34-23)21-14-18-5-3-4-6-22(18)28(2)26(21)32/h3-10,13-14,20,30H,11-12,15H2,1-2H3/t20-/m0/s1.
What are the key properties of (4S)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-4-(1-methyl-2-oxoquinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
(4S)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-4-(1-methyl-2-oxoquinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 456.50 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-4-(1-methyl-2-oxoquinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 99998799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).