2-[(3-methoxyphenyl)methyl]-8-methyl-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-10-one

C21H22N2O2 — CID 46385152

IUPAC2-[(3-methoxyphenyl)methyl]-8-methyl-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-10-one
SMILESCOc1cccc(CN2CCc3[nH]c4ccc(C)cc4c(=O)c3C2)c1
InChIInChI=1S/C21H22N2O2/c1-14-6-7-19-17(10-14)21(24)18-13-23(9-8-20(18)22-19)12-15-4-3-5-16(11-15)25-2/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,22,24)
InChIKeyIPGRHIZAINWPCZ-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.40
Rot. Bonds3

About 2-[(3-methoxyphenyl)methyl]-8-methyl-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-10-one

2-[(3-methoxyphenyl)methyl]-8-methyl-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-10-one (PubChem CID 46385152) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-8-methyl-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-10-one.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-8-methyl-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-10-one
PubChem CID46385152
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name2-[(3-methoxyphenyl)methyl]-8-methyl-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-10-one
SMILESCOc1cccc(CN2CCc3[nH]c4ccc(C)cc4c(=O)c3C2)c1
InChIInChI=1S/C21H22N2O2/c1-14-6-7-19-17(10-14)21(24)18-13-23(9-8-20(18)22-19)12-15-4-3-5-16(11-15)25-2/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,22,24)
InChIKeyIPGRHIZAINWPCZ-UHFFFAOYSA-N
XLogP3.40
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-7-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 13216318
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CID 155524557
12-benzyl-4-(3-methoxyphenyl)-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
CID 18955582
1-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(3-methylphenyl)ethanone
CID 113089341
2-[(3-methoxyphenyl)methyl]-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 53358504
2-[3-[(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]phenoxy]acetamide
CID 70780279
2-[[6-[(3-methoxyphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 135914952
7-[(3-methoxyphenyl)methyl]-2-methyl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 136763941
5-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-3-methyl-1,2-oxazole
CID 77080360
6-[(4-chlorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67374450
2-tert-butyl-7-[(3-methoxyphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865825
2-methoxy-7-methyl-10H-acridin-9-one
CID 24773760

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-8-methyl-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-10-one?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-8-methyl-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-10-one (CID 46385152) is 2-[(3-methoxyphenyl)methyl]-8-methyl-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-10-one.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-8-methyl-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-10-one?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-8-methyl-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-10-one is COc1cccc(CN2CCc3[nH]c4ccc(C)cc4c(=O)c3C2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-8-methyl-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-10-one?
The InChIKey is IPGRHIZAINWPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-14-6-7-19-17(10-14)21(24)18-13-23(9-8-20(18)22-19)12-15-4-3-5-16(11-15)25-2/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,22,24).
What are the key properties of 2-[(3-methoxyphenyl)methyl]-8-methyl-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-10-one?
2-[(3-methoxyphenyl)methyl]-8-methyl-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-10-one has a molecular weight of 334.42 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-8-methyl-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-10-one is sourced from PubChem (CID 46385152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).