methyl 7-[(2-methyl-4-pyridinyl)methyl]-8-oxo-2-(pyrimidin-2-ylmethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride

C31H30ClN5O7 — CID 45260805

IUPACmethyl 7-[(2-methyl-4-pyridinyl)methyl]-8-oxo-2-(pyrimidin-2-ylmethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride
SMILESCOC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ncccn3)nc2c(=O)n1Cc1ccnc(C)c1.Cl
InChIInChI=1S/C31H29N5O7.ClH/c1-18-13-19(9-12-32-18)16-36-28(31(38)42-5)26(20-14-22(39-2)29(41-4)23(15-20)40-3)21-7-8-25(35-27(21)30(36)37)43-17-24-33-10-6-11-34-24;/h6-15H,16-17H2,1-5H3;1H
InChIKeyLFKKHEZGIPBVJG-UHFFFAOYSA-N
MW620.06 g/mol
LogP4.42
Rot. Bonds10

About methyl 7-[(2-methyl-4-pyridinyl)methyl]-8-oxo-2-(pyrimidin-2-ylmethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride

methyl 7-[(2-methyl-4-pyridinyl)methyl]-8-oxo-2-(pyrimidin-2-ylmethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride (PubChem CID 45260805) has the molecular formula C31H30ClN5O7 and a molecular weight of 620.06 g/mol. Its IUPAC name is methyl 7-[(2-methyl-4-pyridinyl)methyl]-8-oxo-2-(pyrimidin-2-ylmethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 7-[(2-methyl-4-pyridinyl)methyl]-8-oxo-2-(pyrimidin-2-ylmethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride
PubChem CID45260805
Molecular FormulaC31H30ClN5O7
Molecular Weight620.06 g/mol
Exact Mass619.18
IUPAC Namemethyl 7-[(2-methyl-4-pyridinyl)methyl]-8-oxo-2-(pyrimidin-2-ylmethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride
SMILESCOC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ncccn3)nc2c(=O)n1Cc1ccnc(C)c1.Cl
InChIInChI=1S/C31H29N5O7.ClH/c1-18-13-19(9-12-32-18)16-36-28(31(38)42-5)26(20-14-22(39-2)29(41-4)23(15-20)40-3)21-7-8-25(35-27(21)30(36)37)43-17-24-33-10-6-11-34-24;/h6-15H,16-17H2,1-5H3;1H
InChIKeyLFKKHEZGIPBVJG-UHFFFAOYSA-N
XLogP4.42
TPSA136.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.06
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze methyl 7-[(2-methyl-4-pyridinyl)methyl]-8-oxo-2-(pyrimidin-2-ylmethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 7-[(2-methyl-4-pyridinyl)methyl]-8-oxo-2-(pyrimidin-2-ylmethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride?
The IUPAC name of methyl 7-[(2-methyl-4-pyridinyl)methyl]-8-oxo-2-(pyrimidin-2-ylmethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride (CID 45260805) is methyl 7-[(2-methyl-4-pyridinyl)methyl]-8-oxo-2-(pyrimidin-2-ylmethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride.
What is the SMILES notation for methyl 7-[(2-methyl-4-pyridinyl)methyl]-8-oxo-2-(pyrimidin-2-ylmethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride?
The canonical SMILES for methyl 7-[(2-methyl-4-pyridinyl)methyl]-8-oxo-2-(pyrimidin-2-ylmethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride is COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ncccn3)nc2c(=O)n1Cc1ccnc(C)c1.Cl.
What is the InChIKey of methyl 7-[(2-methyl-4-pyridinyl)methyl]-8-oxo-2-(pyrimidin-2-ylmethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride?
The InChIKey is LFKKHEZGIPBVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N5O7.ClH/c1-18-13-19(9-12-32-18)16-36-28(31(38)42-5)26(20-14-22(39-2)29(41-4)23(15-20)40-3)21-7-8-25(35-27(21)30(36)37)43-17-24-33-10-6-11-34-24;/h6-15H,16-17H2,1-5H3;1H.
What are the key properties of methyl 7-[(2-methyl-4-pyridinyl)methyl]-8-oxo-2-(pyrimidin-2-ylmethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride?
methyl 7-[(2-methyl-4-pyridinyl)methyl]-8-oxo-2-(pyrimidin-2-ylmethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride has a molecular weight of 620.06 g/mol, XLogP of 4.42, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[(2-methyl-4-pyridinyl)methyl]-8-oxo-2-(pyrimidin-2-ylmethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride is sourced from PubChem (CID 45260805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).