(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

C30H30N2O5 — CID 99999817

IUPAC(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
SMILESCc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@@H](c1cc3ccccc3n(CC(C)C)c1=O)CC(=O)O2
InChIInChI=1S/C30H30N2O5/c1-18(2)17-32-25-7-5-4-6-21(25)15-24(29(32)35)23-16-27(34)37-26-14-19(3)31(30(36)28(23)26)13-12-20-8-10-22(33)11-9-20/h4-11,14-15,18,23,33H,12-13,16-17H2,1-3H3/t23-/m1/s1
InChIKeyATLSQFHRBVKLSP-HSZRJFAPSA-N
MW498.58 g/mol
LogP4.52
Rot. Bonds6

About (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

(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 (PubChem CID 99999817) has the molecular formula C30H30N2O5 and a molecular weight of 498.58 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID99999817
Molecular FormulaC30H30N2O5
Molecular Weight498.58 g/mol
Exact Mass498.22
IUPAC Name(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
SMILESCc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@@H](c1cc3ccccc3n(CC(C)C)c1=O)CC(=O)O2
InChIInChI=1S/C30H30N2O5/c1-18(2)17-32-25-7-5-4-6-21(25)15-24(29(32)35)23-16-27(34)37-26-14-19(3)31(30(36)28(23)26)13-12-20-8-10-22(33)11-9-20/h4-11,14-15,18,23,33H,12-13,16-17H2,1-3H3/t23-/m1/s1
InChIKeyATLSQFHRBVKLSP-HSZRJFAPSA-N
XLogP4.52
TPSA90.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Related Compounds

(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
(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
3-(4-hydroxyphenyl)-10-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 75492565
(2Z,9S)-9-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-2-[(2,4,5-trimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125429463
(4S)-7-methyl-4-(1-methyl-2-oxoquinolin-3-yl)-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 97045869
(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-oxo-1H-benzo[g]quinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 125431387
(4S)-6,7-dimethyl-4-[2-(pyridin-2-ylmethoxy)phenyl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 125431494
(10R)-5-hydroxy-10-(1-methyl-2-oxoquinolin-3-yl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424971
methyl 2-[(9R)-6-[2-(3,4-dihydroxyphenyl)ethyl]-5-methyl-7-oxo-2-oxa-6,18-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1(18),3(8),4,10,12,14,16-heptaen-9-yl]acetate
CID 125122875
3-[(4S)-6-(4-chlorobenzoyl)-5-hydroxy-2-oxo-3,4-dihydrochromen-4-yl]-1-methylquinolin-2-one
CID 125122090
(4S)-4-(4-fluorophenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 125432766

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@@H](c1cc3ccccc3n(CC(C)C)c1=O)CC(=O)O2.
What is the InChIKey of (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?
The InChIKey is ATLSQFHRBVKLSP-HSZRJFAPSA-N. The full InChI is InChI=1S/C30H30N2O5/c1-18(2)17-32-25-7-5-4-6-21(25)15-24(29(32)35)23-16-27(34)37-26-14-19(3)31(30(36)28(23)26)13-12-20-8-10-22(33)11-9-20/h4-11,14-15,18,23,33H,12-13,16-17H2,1-3H3/t23-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 498.58 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 99999817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).