3-chloro-4-methoxy-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;hydrochloride

C19H23Cl2N3O2 — CID 23508152

IUPAC3-chloro-4-methoxy-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;hydrochloride
SMILESCOc1ccc(C(=O)Nc2cnc3c(c2)CN(C)CC3(C)C)cc1Cl.Cl
InChIInChI=1S/C19H22ClN3O2.ClH/c1-19(2)11-23(3)10-13-7-14(9-21-17(13)19)22-18(24)12-5-6-16(25-4)15(20)8-12;/h5-9H,10-11H2,1-4H3,(H,22,24);1H
InChIKeySEGLLRVZJHIHEU-UHFFFAOYSA-N
MW396.32 g/mol
LogP4.14
Rot. Bonds3

About 3-chloro-4-methoxy-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;hydrochloride

3-chloro-4-methoxy-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;hydrochloride (PubChem CID 23508152) has the molecular formula C19H23Cl2N3O2 and a molecular weight of 396.32 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;hydrochloride
PubChem CID23508152
Molecular FormulaC19H23Cl2N3O2
Molecular Weight396.32 g/mol
Exact Mass395.12
IUPAC Name3-chloro-4-methoxy-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;hydrochloride
SMILESCOc1ccc(C(=O)Nc2cnc3c(c2)CN(C)CC3(C)C)cc1Cl.Cl
InChIInChI=1S/C19H22ClN3O2.ClH/c1-19(2)11-23(3)10-13-7-14(9-21-17(13)19)22-18(24)12-5-6-16(25-4)15(20)8-12;/h5-9H,10-11H2,1-4H3,(H,22,24);1H
InChIKeySEGLLRVZJHIHEU-UHFFFAOYSA-N
XLogP4.14
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.32
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-4-methoxy-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;hydrochloride with MolForge

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Related Compounds

4-ethoxy-3-(trifluoromethyl)-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;dihydrochloride
CID 23508175
3-bromo-4-methoxy-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide
CID 18382712
4-methoxy-3-(2-methylpropanoyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide
CID 18382619
N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-methoxy-3-(trifluoromethyl)benzamide;hydrochloride
CID 23508141
N-(3-bromo-4-methoxyphenyl)-3-chloro-4-methoxybenzamide
CID 3529705
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
3-chloro-4-methoxy-N-(4-methylphenyl)benzamide
CID 2976183
3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide
CID 2994955
3-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 44871411
4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 81307448
3-chloro-N-(4-iodo-3,5-dimethylphenyl)-4-methoxybenzamide
CID 17313445
3-acetyl-N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-propan-2-yloxybenzamide;hydrochloride
CID 23508168

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;hydrochloride?
The IUPAC name of 3-chloro-4-methoxy-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;hydrochloride (CID 23508152) is 3-chloro-4-methoxy-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;hydrochloride.
What is the SMILES notation for 3-chloro-4-methoxy-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;hydrochloride?
The canonical SMILES for 3-chloro-4-methoxy-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;hydrochloride is COc1ccc(C(=O)Nc2cnc3c(c2)CN(C)CC3(C)C)cc1Cl.Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;hydrochloride?
The InChIKey is SEGLLRVZJHIHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2.ClH/c1-19(2)11-23(3)10-13-7-14(9-21-17(13)19)22-18(24)12-5-6-16(25-4)15(20)8-12;/h5-9H,10-11H2,1-4H3,(H,22,24);1H.
What are the key properties of 3-chloro-4-methoxy-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;hydrochloride?
3-chloro-4-methoxy-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;hydrochloride has a molecular weight of 396.32 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;hydrochloride is sourced from PubChem (CID 23508152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).