7-[2-chloro-3-[2-chloro-3-[1-methoxy-6-(2-methoxyethyl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]phenyl]phenyl]-5-methoxy-2-(2-methoxyethyl)-3,4-dihydro-1H-2,6-naphthyridine

C36H40Cl2N4O4 — CID 166561677

IUPAC7-[2-chloro-3-[2-chloro-3-[1-methoxy-6-(2-methoxyethyl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]phenyl]phenyl]-5-methoxy-2-(2-methoxyethyl)-3,4-dihydro-1H-2,6-naphthyridine
SMILESCOCCN1CCc2c(cc(-c3cccc(-c4cccc(-c5cc6c(c(OC)n5)CCN(CCOC)C6)c4Cl)c3Cl)nc2OC)C1
InChIInChI=1S/C36H40Cl2N4O4/c1-43-17-15-41-13-11-25-23(21-41)19-31(39-35(25)45-3)29-9-5-7-27(33(29)37)28-8-6-10-30(34(28)38)32-20-24-22-42(16-18-44-2)14-12-26(24)36(40-32)46-4/h5-10,19-20H,11-18,21-22H2,1-4H3
InChIKeyIDIHDVUKRFQAIK-UHFFFAOYSA-N
MW663.65 g/mol
LogP6.81
Rot. Bonds11

About 7-[2-chloro-3-[2-chloro-3-[1-methoxy-6-(2-methoxyethyl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]phenyl]phenyl]-5-methoxy-2-(2-methoxyethyl)-3,4-dihydro-1H-2,6-naphthyridine

7-[2-chloro-3-[2-chloro-3-[1-methoxy-6-(2-methoxyethyl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]phenyl]phenyl]-5-methoxy-2-(2-methoxyethyl)-3,4-dihydro-1H-2,6-naphthyridine (PubChem CID 166561677) has the molecular formula C36H40Cl2N4O4 and a molecular weight of 663.65 g/mol. Its IUPAC name is 7-[2-chloro-3-[2-chloro-3-[1-methoxy-6-(2-methoxyethyl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]phenyl]phenyl]-5-methoxy-2-(2-methoxyethyl)-3,4-dihydro-1H-2,6-naphthyridine.

Molecular Properties

Compound Name7-[2-chloro-3-[2-chloro-3-[1-methoxy-6-(2-methoxyethyl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]phenyl]phenyl]-5-methoxy-2-(2-methoxyethyl)-3,4-dihydro-1H-2,6-naphthyridine
PubChem CID166561677
Molecular FormulaC36H40Cl2N4O4
Molecular Weight663.65 g/mol
Exact Mass662.24
IUPAC Name7-[2-chloro-3-[2-chloro-3-[1-methoxy-6-(2-methoxyethyl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]phenyl]phenyl]-5-methoxy-2-(2-methoxyethyl)-3,4-dihydro-1H-2,6-naphthyridine
SMILESCOCCN1CCc2c(cc(-c3cccc(-c4cccc(-c5cc6c(c(OC)n5)CCN(CCOC)C6)c4Cl)c3Cl)nc2OC)C1
InChIInChI=1S/C36H40Cl2N4O4/c1-43-17-15-41-13-11-25-23(21-41)19-31(39-35(25)45-3)29-9-5-7-27(33(29)37)28-8-6-10-30(34(28)38)32-20-24-22-42(16-18-44-2)14-12-26(24)36(40-32)46-4/h5-10,19-20H,11-18,21-22H2,1-4H3
InChIKeyIDIHDVUKRFQAIK-UHFFFAOYSA-N
XLogP6.81
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.65
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[2-chloro-3-[2-chloro-3-[1-methoxy-6-(2-methoxyethyl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]phenyl]phenyl]-5-methoxy-2-(2-methoxyethyl)-3,4-dihydro-1H-2,6-naphthyridine with MolForge

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Related Compounds

2-[[5-[2-chloro-3-[2-chloro-3-[1-methoxy-6-[(5-oxopyrrolidin-2-yl)methyl]-7,8-dihydro-5H-2,6-naphthyridin-3-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one
CID 170225277
1,3-dimethyl-5H-pyrido[4,3-d]pyrimidin-5-ide-2,4-dione;manganese(2+);methyl 4-[2-[7-[2-chloro-3-(2-chlorobenzene-3-id-1-yl)phenyl]-5-methoxy-3,4-dihydro-1H-2,6-naphthyridin-2-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylate
CID 177214368
4-[2-[7-[2-chloro-3-[3-[[7-(difluoromethyl)-3-methyl-4-oxopyrido[3,4-d]pyridazin-5-yl]amino]-2-methylphenyl]phenyl]-5-methoxy-3,4-dihydro-1H-2,6-naphthyridin-2-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxamide
CID 177216469
(7R)-3-[2-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1-methoxy-7-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 166561797
5-[(7S)-3-(3-bromo-2-chlorophenyl)-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-1-(2-methoxyethyl)-1,3,5-triazocan-2-one
CID 177214801
1-[4-[[6-[3-[3-[5-[(4-acetylpiperazin-1-yl)methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]piperazin-1-yl]ethanone
CID 146207008
(7R)-3-[2-chloro-3-[2-fluoro-3-[(7S)-1-methoxy-7-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1-methoxy-7-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 166561647
tert-butyl N-[[6-[2-chloro-3-[3-chloro-2-[8-chloro-2-(3-hydroxy-3-methylbutyl)-3,4-dihydro-1H-isoquinolin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]carbamate
CID 175513051
(5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[6-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one
CID 166516159
(5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[6-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one
CID 165077168
1-[[6-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2-methoxy-3-pyridinyl]methyl]-3-methylazetidin-3-ol
CID 166809144
5-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylanilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;3-(2-methoxyethyl)-1,3,7-triazaspiro[4.4]nonan-2-one
CID 177214826

Frequently Asked Questions

What is the IUPAC name of 7-[2-chloro-3-[2-chloro-3-[1-methoxy-6-(2-methoxyethyl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]phenyl]phenyl]-5-methoxy-2-(2-methoxyethyl)-3,4-dihydro-1H-2,6-naphthyridine?
The IUPAC name of 7-[2-chloro-3-[2-chloro-3-[1-methoxy-6-(2-methoxyethyl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]phenyl]phenyl]-5-methoxy-2-(2-methoxyethyl)-3,4-dihydro-1H-2,6-naphthyridine (CID 166561677) is 7-[2-chloro-3-[2-chloro-3-[1-methoxy-6-(2-methoxyethyl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]phenyl]phenyl]-5-methoxy-2-(2-methoxyethyl)-3,4-dihydro-1H-2,6-naphthyridine.
What is the SMILES notation for 7-[2-chloro-3-[2-chloro-3-[1-methoxy-6-(2-methoxyethyl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]phenyl]phenyl]-5-methoxy-2-(2-methoxyethyl)-3,4-dihydro-1H-2,6-naphthyridine?
The canonical SMILES for 7-[2-chloro-3-[2-chloro-3-[1-methoxy-6-(2-methoxyethyl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]phenyl]phenyl]-5-methoxy-2-(2-methoxyethyl)-3,4-dihydro-1H-2,6-naphthyridine is COCCN1CCc2c(cc(-c3cccc(-c4cccc(-c5cc6c(c(OC)n5)CCN(CCOC)C6)c4Cl)c3Cl)nc2OC)C1.
What is the InChIKey of 7-[2-chloro-3-[2-chloro-3-[1-methoxy-6-(2-methoxyethyl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]phenyl]phenyl]-5-methoxy-2-(2-methoxyethyl)-3,4-dihydro-1H-2,6-naphthyridine?
The InChIKey is IDIHDVUKRFQAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40Cl2N4O4/c1-43-17-15-41-13-11-25-23(21-41)19-31(39-35(25)45-3)29-9-5-7-27(33(29)37)28-8-6-10-30(34(28)38)32-20-24-22-42(16-18-44-2)14-12-26(24)36(40-32)46-4/h5-10,19-20H,11-18,21-22H2,1-4H3.
What are the key properties of 7-[2-chloro-3-[2-chloro-3-[1-methoxy-6-(2-methoxyethyl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]phenyl]phenyl]-5-methoxy-2-(2-methoxyethyl)-3,4-dihydro-1H-2,6-naphthyridine?
7-[2-chloro-3-[2-chloro-3-[1-methoxy-6-(2-methoxyethyl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]phenyl]phenyl]-5-methoxy-2-(2-methoxyethyl)-3,4-dihydro-1H-2,6-naphthyridine has a molecular weight of 663.65 g/mol, XLogP of 6.81, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-chloro-3-[2-chloro-3-[1-methoxy-6-(2-methoxyethyl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]phenyl]phenyl]-5-methoxy-2-(2-methoxyethyl)-3,4-dihydro-1H-2,6-naphthyridine is sourced from PubChem (CID 166561677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).