7-benzyl-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-ethoxy-6,8-dihydro-5H-1,7-naphthyridine

C23H30N4O — CID 176937499

IUPAC7-benzyl-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-ethoxy-6,8-dihydro-5H-1,7-naphthyridine
SMILESCCOc1cc(N2CC3CCC(C2)N3)c2c(n1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C23H30N4O/c1-2-28-23-12-22(27-14-18-8-9-19(15-27)24-18)20-10-11-26(16-21(20)25-23)13-17-6-4-3-5-7-17/h3-7,12,18-19,24H,2,8-11,13-16H2,1H3
InChIKeySYWAVODDXLQUDB-UHFFFAOYSA-N
MW378.52 g/mol
LogP2.98
Rot. Bonds5

About 7-benzyl-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-ethoxy-6,8-dihydro-5H-1,7-naphthyridine

7-benzyl-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-ethoxy-6,8-dihydro-5H-1,7-naphthyridine (PubChem CID 176937499) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 7-benzyl-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-ethoxy-6,8-dihydro-5H-1,7-naphthyridine.

Molecular Properties

Compound Name7-benzyl-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-ethoxy-6,8-dihydro-5H-1,7-naphthyridine
PubChem CID176937499
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name7-benzyl-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-ethoxy-6,8-dihydro-5H-1,7-naphthyridine
SMILESCCOc1cc(N2CC3CCC(C2)N3)c2c(n1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C23H30N4O/c1-2-28-23-12-22(27-14-18-8-9-19(15-27)24-18)20-10-11-26(16-21(20)25-23)13-17-6-4-3-5-7-17/h3-7,12,18-19,24H,2,8-11,13-16H2,1H3
InChIKeySYWAVODDXLQUDB-UHFFFAOYSA-N
XLogP2.98
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-7-[(4-ethoxy-3-methoxyphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137061499
2-benzyl-7-methoxy-3,4-dihydro-1H-benzo[b][1,7]naphthyridin-5-amine
CID 10495879
7-benzyl-2-N,2-N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine
CID 20825762
7-benzyl-2-(methoxymethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135997459
6-benzyl-4-ethoxy-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-one
CID 134914509
7-[(3-chlorophenyl)methyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136888329
7-benzyl-4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 58378136
2,7-dibenzyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137286146
2-[[7-benzyl-4-(2-methylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-N,N-dimethylethanamine
CID 175966919
4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-2-methoxycarbonylpiperazine-1-carboxylic acid
CID 155124592
2-benzyl-5-(4-ethylpiperazin-1-yl)-3,4-dihydro-1H-isoquinoline
CID 154455310
7-benzyl-2-methylsulfonyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865757

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-ethoxy-6,8-dihydro-5H-1,7-naphthyridine?
The IUPAC name of 7-benzyl-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-ethoxy-6,8-dihydro-5H-1,7-naphthyridine (CID 176937499) is 7-benzyl-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-ethoxy-6,8-dihydro-5H-1,7-naphthyridine.
What is the SMILES notation for 7-benzyl-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-ethoxy-6,8-dihydro-5H-1,7-naphthyridine?
The canonical SMILES for 7-benzyl-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-ethoxy-6,8-dihydro-5H-1,7-naphthyridine is CCOc1cc(N2CC3CCC(C2)N3)c2c(n1)CN(Cc1ccccc1)CC2.
What is the InChIKey of 7-benzyl-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-ethoxy-6,8-dihydro-5H-1,7-naphthyridine?
The InChIKey is SYWAVODDXLQUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-2-28-23-12-22(27-14-18-8-9-19(15-27)24-18)20-10-11-26(16-21(20)25-23)13-17-6-4-3-5-7-17/h3-7,12,18-19,24H,2,8-11,13-16H2,1H3.
What are the key properties of 7-benzyl-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-ethoxy-6,8-dihydro-5H-1,7-naphthyridine?
7-benzyl-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-ethoxy-6,8-dihydro-5H-1,7-naphthyridine has a molecular weight of 378.52 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-ethoxy-6,8-dihydro-5H-1,7-naphthyridine is sourced from PubChem (CID 176937499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).