dimethyl 6,7-dimethoxy-1-[2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-4-pyridinyl]naphthalene-2,3-dicarboxylate

C35H31N3O9 — CID 22007419

IUPACdimethyl 6,7-dimethoxy-1-[2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-4-pyridinyl]naphthalene-2,3-dicarboxylate
SMILESCOC(=O)c1cc2cc(OC)c(OC)cc2c(-c2ccnc(-n3c(=O)cc(C(=O)N4CCOCC4)c4ccccc43)c2)c1C(=O)OC
InChIInChI=1S/C35H31N3O9/c1-43-27-16-21-15-25(34(41)45-3)32(35(42)46-4)31(23(21)18-28(27)44-2)20-9-10-36-29(17-20)38-26-8-6-5-7-22(26)24(19-30(38)39)33(40)37-11-13-47-14-12-37/h5-10,15-19H,11-14H2,1-4H3
InChIKeyWFVAEKVPFZLZMF-UHFFFAOYSA-N
MW637.65 g/mol
LogP4.27
Rot. Bonds7

About dimethyl 6,7-dimethoxy-1-[2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-4-pyridinyl]naphthalene-2,3-dicarboxylate

dimethyl 6,7-dimethoxy-1-[2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-4-pyridinyl]naphthalene-2,3-dicarboxylate (PubChem CID 22007419) has the molecular formula C35H31N3O9 and a molecular weight of 637.65 g/mol. Its IUPAC name is dimethyl 6,7-dimethoxy-1-[2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-4-pyridinyl]naphthalene-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 6,7-dimethoxy-1-[2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-4-pyridinyl]naphthalene-2,3-dicarboxylate
PubChem CID22007419
Molecular FormulaC35H31N3O9
Molecular Weight637.65 g/mol
Exact Mass637.21
IUPAC Namedimethyl 6,7-dimethoxy-1-[2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-4-pyridinyl]naphthalene-2,3-dicarboxylate
SMILESCOC(=O)c1cc2cc(OC)c(OC)cc2c(-c2ccnc(-n3c(=O)cc(C(=O)N4CCOCC4)c4ccccc43)c2)c1C(=O)OC
InChIInChI=1S/C35H31N3O9/c1-43-27-16-21-15-25(34(41)45-3)32(35(42)46-4)31(23(21)18-28(27)44-2)20-9-10-36-29(17-20)38-26-8-6-5-7-22(26)24(19-30(38)39)33(40)37-11-13-47-14-12-37/h5-10,15-19H,11-14H2,1-4H3
InChIKeyWFVAEKVPFZLZMF-UHFFFAOYSA-N
XLogP4.27
TPSA135.49 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.65
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze dimethyl 6,7-dimethoxy-1-[2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-4-pyridinyl]naphthalene-2,3-dicarboxylate with MolForge

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Launch Full Analysis

Related Compounds

dimethyl 1-[2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]-6,7-dimethoxynaphthalene-2,3-dicarboxylate
CID 66867671
dimethyl 1-(2-bromo-4-pyridinyl)-7-methoxy-6-methylnaphthalene-2,3-dicarboxylate
CID 118054707
N-(2,5-dimethoxyphenyl)-2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]acetamide
CID 51369730
methyl 7-(morpholine-4-carbonyl)pyrido[1,2-a]indole-10-carboxylate
CID 66667084
[2-(2,5-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 35330401
methyl 1-(3,5-dichlorophenyl)-3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-6,7-dimethoxynaphthalene-2-carboxylate
CID 10840332
4-(3,5-dichlorophenyl)-6,7-dimethoxy-3-methoxycarbonylnaphthalene-2-carboxylic acid
CID 10646519
(3-methoxy-4-pyridinyl)-morpholin-4-ylmethanone
CID 105063802
methyl 1-(2-methoxy-4-pyridinyl)indole-3-carboxylate
CID 178035448
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55761059
chlorobenzene;2,3-dihydro-1H-quinolin-4-one;dimethyl 6,7-bis(hydroxymethyl)-1-[2-(4-oxo-2,3-dihydroquinolin-1-yl)-4-pyridinyl]naphthalene-2,3-dicarboxylate;dimethyl 1-(2-bromo-4-pyridinyl)-6,7-bis(hydroxymethyl)naphthalene-2,3-dicarboxylate
CID 159958197
piperidin-1-yl-(2,3,6,7-tetramethoxyphenanthren-9-yl)methanone
CID 66561042

Frequently Asked Questions

What is the IUPAC name of dimethyl 6,7-dimethoxy-1-[2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-4-pyridinyl]naphthalene-2,3-dicarboxylate?
The IUPAC name of dimethyl 6,7-dimethoxy-1-[2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-4-pyridinyl]naphthalene-2,3-dicarboxylate (CID 22007419) is dimethyl 6,7-dimethoxy-1-[2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-4-pyridinyl]naphthalene-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 6,7-dimethoxy-1-[2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-4-pyridinyl]naphthalene-2,3-dicarboxylate?
The canonical SMILES for dimethyl 6,7-dimethoxy-1-[2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-4-pyridinyl]naphthalene-2,3-dicarboxylate is COC(=O)c1cc2cc(OC)c(OC)cc2c(-c2ccnc(-n3c(=O)cc(C(=O)N4CCOCC4)c4ccccc43)c2)c1C(=O)OC.
What is the InChIKey of dimethyl 6,7-dimethoxy-1-[2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-4-pyridinyl]naphthalene-2,3-dicarboxylate?
The InChIKey is WFVAEKVPFZLZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31N3O9/c1-43-27-16-21-15-25(34(41)45-3)32(35(42)46-4)31(23(21)18-28(27)44-2)20-9-10-36-29(17-20)38-26-8-6-5-7-22(26)24(19-30(38)39)33(40)37-11-13-47-14-12-37/h5-10,15-19H,11-14H2,1-4H3.
What are the key properties of dimethyl 6,7-dimethoxy-1-[2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-4-pyridinyl]naphthalene-2,3-dicarboxylate?
dimethyl 6,7-dimethoxy-1-[2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-4-pyridinyl]naphthalene-2,3-dicarboxylate has a molecular weight of 637.65 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 6,7-dimethoxy-1-[2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-4-pyridinyl]naphthalene-2,3-dicarboxylate is sourced from PubChem (CID 22007419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).