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

C33H33ClN4O7 — CID 45266037

IUPACmethyl 7-[(2-methyl-4-pyridinyl)methyl]-8-oxo-2-(2-pyridin-2-ylethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride
SMILESCOC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCCc3ccccn3)nc2c(=O)n1Cc1ccnc(C)c1.Cl
InChIInChI=1S/C33H32N4O7.ClH/c1-20-16-21(11-14-34-20)19-37-30(33(39)43-5)28(22-17-25(40-2)31(42-4)26(18-22)41-3)24-9-10-27(36-29(24)32(37)38)44-15-12-23-8-6-7-13-35-23;/h6-11,13-14,16-18H,12,15,19H2,1-5H3;1H
InChIKeyUFWBSYCNSBCHQV-UHFFFAOYSA-N
MW633.10 g/mol
LogP5.07
Rot. Bonds11

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

methyl 7-[(2-methyl-4-pyridinyl)methyl]-8-oxo-2-(2-pyridin-2-ylethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride (PubChem CID 45266037) has the molecular formula C33H33ClN4O7 and a molecular weight of 633.10 g/mol. Its IUPAC name is methyl 7-[(2-methyl-4-pyridinyl)methyl]-8-oxo-2-(2-pyridin-2-ylethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 7-[(2-methyl-4-pyridinyl)methyl]-8-oxo-2-(2-pyridin-2-ylethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride
PubChem CID45266037
Molecular FormulaC33H33ClN4O7
Molecular Weight633.10 g/mol
Exact Mass632.20
IUPAC Namemethyl 7-[(2-methyl-4-pyridinyl)methyl]-8-oxo-2-(2-pyridin-2-ylethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride
SMILESCOC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCCc3ccccn3)nc2c(=O)n1Cc1ccnc(C)c1.Cl
InChIInChI=1S/C33H32N4O7.ClH/c1-20-16-21(11-14-34-20)19-37-30(33(39)43-5)28(22-17-25(40-2)31(42-4)26(18-22)41-3)24-9-10-27(36-29(24)32(37)38)44-15-12-23-8-6-7-13-35-23;/h6-11,13-14,16-18H,12,15,19H2,1-5H3;1H
InChIKeyUFWBSYCNSBCHQV-UHFFFAOYSA-N
XLogP5.07
TPSA123.89 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500633.10
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze methyl 7-[(2-methyl-4-pyridinyl)methyl]-8-oxo-2-(2-pyridin-2-ylethoxy)-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-(2-pyridin-2-ylethoxy)-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-(2-pyridin-2-ylethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride (CID 45266037) is methyl 7-[(2-methyl-4-pyridinyl)methyl]-8-oxo-2-(2-pyridin-2-ylethoxy)-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-(2-pyridin-2-ylethoxy)-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-(2-pyridin-2-ylethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride is COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCCc3ccccn3)nc2c(=O)n1Cc1ccnc(C)c1.Cl.
What is the InChIKey of methyl 7-[(2-methyl-4-pyridinyl)methyl]-8-oxo-2-(2-pyridin-2-ylethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride?
The InChIKey is UFWBSYCNSBCHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N4O7.ClH/c1-20-16-21(11-14-34-20)19-37-30(33(39)43-5)28(22-17-25(40-2)31(42-4)26(18-22)41-3)24-9-10-27(36-29(24)32(37)38)44-15-12-23-8-6-7-13-35-23;/h6-11,13-14,16-18H,12,15,19H2,1-5H3;1H.
What are the key properties of methyl 7-[(2-methyl-4-pyridinyl)methyl]-8-oxo-2-(2-pyridin-2-ylethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride?
methyl 7-[(2-methyl-4-pyridinyl)methyl]-8-oxo-2-(2-pyridin-2-ylethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride has a molecular weight of 633.10 g/mol, XLogP of 5.07, 11 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[(2-methyl-4-pyridinyl)methyl]-8-oxo-2-(2-pyridin-2-ylethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride is sourced from PubChem (CID 45266037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).