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

C33H33ClN4O7 — CID 45264635

IUPACmethyl 2-[(2-methyl-4-pyridinyl)methyl]-1-oxo-8-(2-pyridin-2-ylethoxy)-4-(3,4,5-trimethoxyphenyl)-2,7-naphthyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccnc(OCCc3ccccn3)c2c(=O)n1Cc1ccnc(C)c1.Cl
InChIInChI=1S/C33H32N4O7.ClH/c1-20-16-21(9-13-34-20)19-37-29(33(39)43-5)27(22-17-25(40-2)30(42-4)26(18-22)41-3)24-10-14-36-31(28(24)32(37)38)44-15-11-23-8-6-7-12-35-23;/h6-10,12-14,16-18H,11,15,19H2,1-5H3;1H
InChIKeySUEVNYVPIOFXNY-UHFFFAOYSA-N
MW633.10 g/mol
LogP5.07
Rot. Bonds11

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

methyl 2-[(2-methyl-4-pyridinyl)methyl]-1-oxo-8-(2-pyridin-2-ylethoxy)-4-(3,4,5-trimethoxyphenyl)-2,7-naphthyridine-3-carboxylate;hydrochloride (PubChem CID 45264635) has the molecular formula C33H33ClN4O7 and a molecular weight of 633.10 g/mol. Its IUPAC name is methyl 2-[(2-methyl-4-pyridinyl)methyl]-1-oxo-8-(2-pyridin-2-ylethoxy)-4-(3,4,5-trimethoxyphenyl)-2,7-naphthyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[(2-methyl-4-pyridinyl)methyl]-1-oxo-8-(2-pyridin-2-ylethoxy)-4-(3,4,5-trimethoxyphenyl)-2,7-naphthyridine-3-carboxylate;hydrochloride
PubChem CID45264635
Molecular FormulaC33H33ClN4O7
Molecular Weight633.10 g/mol
Exact Mass632.20
IUPAC Namemethyl 2-[(2-methyl-4-pyridinyl)methyl]-1-oxo-8-(2-pyridin-2-ylethoxy)-4-(3,4,5-trimethoxyphenyl)-2,7-naphthyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccnc(OCCc3ccccn3)c2c(=O)n1Cc1ccnc(C)c1.Cl
InChIInChI=1S/C33H32N4O7.ClH/c1-20-16-21(9-13-34-20)19-37-29(33(39)43-5)27(22-17-25(40-2)30(42-4)26(18-22)41-3)24-10-14-36-31(28(24)32(37)38)44-15-11-23-8-6-7-12-35-23;/h6-10,12-14,16-18H,11,15,19H2,1-5H3;1H
InChIKeySUEVNYVPIOFXNY-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 2-[(2-methyl-4-pyridinyl)methyl]-1-oxo-8-(2-pyridin-2-ylethoxy)-4-(3,4,5-trimethoxyphenyl)-2,7-naphthyridine-3-carboxylate;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methyl-4-pyridinyl)methyl]-1-oxo-8-(2-pyridin-2-ylethoxy)-4-(3,4,5-trimethoxyphenyl)-2,7-naphthyridine-3-carboxylate;hydrochloride?
The IUPAC name of methyl 2-[(2-methyl-4-pyridinyl)methyl]-1-oxo-8-(2-pyridin-2-ylethoxy)-4-(3,4,5-trimethoxyphenyl)-2,7-naphthyridine-3-carboxylate;hydrochloride (CID 45264635) is methyl 2-[(2-methyl-4-pyridinyl)methyl]-1-oxo-8-(2-pyridin-2-ylethoxy)-4-(3,4,5-trimethoxyphenyl)-2,7-naphthyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2-[(2-methyl-4-pyridinyl)methyl]-1-oxo-8-(2-pyridin-2-ylethoxy)-4-(3,4,5-trimethoxyphenyl)-2,7-naphthyridine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 2-[(2-methyl-4-pyridinyl)methyl]-1-oxo-8-(2-pyridin-2-ylethoxy)-4-(3,4,5-trimethoxyphenyl)-2,7-naphthyridine-3-carboxylate;hydrochloride is COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccnc(OCCc3ccccn3)c2c(=O)n1Cc1ccnc(C)c1.Cl.
What is the InChIKey of methyl 2-[(2-methyl-4-pyridinyl)methyl]-1-oxo-8-(2-pyridin-2-ylethoxy)-4-(3,4,5-trimethoxyphenyl)-2,7-naphthyridine-3-carboxylate;hydrochloride?
The InChIKey is SUEVNYVPIOFXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N4O7.ClH/c1-20-16-21(9-13-34-20)19-37-29(33(39)43-5)27(22-17-25(40-2)30(42-4)26(18-22)41-3)24-10-14-36-31(28(24)32(37)38)44-15-11-23-8-6-7-12-35-23;/h6-10,12-14,16-18H,11,15,19H2,1-5H3;1H.
What are the key properties of methyl 2-[(2-methyl-4-pyridinyl)methyl]-1-oxo-8-(2-pyridin-2-ylethoxy)-4-(3,4,5-trimethoxyphenyl)-2,7-naphthyridine-3-carboxylate;hydrochloride?
methyl 2-[(2-methyl-4-pyridinyl)methyl]-1-oxo-8-(2-pyridin-2-ylethoxy)-4-(3,4,5-trimethoxyphenyl)-2,7-naphthyridine-3-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 2-[(2-methyl-4-pyridinyl)methyl]-1-oxo-8-(2-pyridin-2-ylethoxy)-4-(3,4,5-trimethoxyphenyl)-2,7-naphthyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 45264635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).