1,7-dimethyl-5-phenylmethoxy-3,4-dihydro-2H-1,8-naphthyridine

C17H20N2O — CID 71386000

IUPAC1,7-dimethyl-5-phenylmethoxy-3,4-dihydro-2H-1,8-naphthyridine
SMILESCc1cc(OCc2ccccc2)c2c(n1)N(C)CCC2
InChIInChI=1S/C17H20N2O/c1-13-11-16(20-12-14-7-4-3-5-8-14)15-9-6-10-19(2)17(15)18-13/h3-5,7-8,11H,6,9-10,12H2,1-2H3
InChIKeyBCDIMFGKHKXZKT-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.35
Rot. Bonds3

About 1,7-dimethyl-5-phenylmethoxy-3,4-dihydro-2H-1,8-naphthyridine

1,7-dimethyl-5-phenylmethoxy-3,4-dihydro-2H-1,8-naphthyridine (PubChem CID 71386000) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1,7-dimethyl-5-phenylmethoxy-3,4-dihydro-2H-1,8-naphthyridine.

Molecular Properties

Compound Name1,7-dimethyl-5-phenylmethoxy-3,4-dihydro-2H-1,8-naphthyridine
PubChem CID71386000
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1,7-dimethyl-5-phenylmethoxy-3,4-dihydro-2H-1,8-naphthyridine
SMILESCc1cc(OCc2ccccc2)c2c(n1)N(C)CCC2
InChIInChI=1S/C17H20N2O/c1-13-11-16(20-12-14-7-4-3-5-8-14)15-9-6-10-19(2)17(15)18-13/h3-5,7-8,11H,6,9-10,12H2,1-2H3
InChIKeyBCDIMFGKHKXZKT-UHFFFAOYSA-N
XLogP3.35
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,7-dimethyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3,4-dihydro-2H-1,8-naphthyridine
CID 57152557
2,6-dimethyl-4-phenylmethoxypyridine-3-carboxylic acid
CID 81053468
3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
7-bromo-3-methyl-8-phenylmethoxy-1,2,4,5-tetrahydro-3-benzazepine
CID 91591578
3-ethyl-2-fluoro-6-methyl-4-phenylmethoxypyridine
CID 166726090
3-(4-methoxyphenyl)-2,6-dimethyl-4-phenylmethoxypyridine
CID 15171436
2-cyclopropyl-1-methyl-4-phenylmethoxybenzimidazole
CID 141096815
azepan-1-yl-(3-methoxy-4-phenylmethoxyphenyl)methanethione
CID 7369964
methyl 4-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 151712376
8-methyl-4-phenylmethoxynaphthalene-2-carboxylic acid
CID 118562139
5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene
CID 123448415
1-(2-phenylmethoxyphenoxy)azetidin-2-one
CID 67621881

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-5-phenylmethoxy-3,4-dihydro-2H-1,8-naphthyridine?
The IUPAC name of 1,7-dimethyl-5-phenylmethoxy-3,4-dihydro-2H-1,8-naphthyridine (CID 71386000) is 1,7-dimethyl-5-phenylmethoxy-3,4-dihydro-2H-1,8-naphthyridine.
What is the SMILES notation for 1,7-dimethyl-5-phenylmethoxy-3,4-dihydro-2H-1,8-naphthyridine?
The canonical SMILES for 1,7-dimethyl-5-phenylmethoxy-3,4-dihydro-2H-1,8-naphthyridine is Cc1cc(OCc2ccccc2)c2c(n1)N(C)CCC2.
What is the InChIKey of 1,7-dimethyl-5-phenylmethoxy-3,4-dihydro-2H-1,8-naphthyridine?
The InChIKey is BCDIMFGKHKXZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-11-16(20-12-14-7-4-3-5-8-14)15-9-6-10-19(2)17(15)18-13/h3-5,7-8,11H,6,9-10,12H2,1-2H3.
What are the key properties of 1,7-dimethyl-5-phenylmethoxy-3,4-dihydro-2H-1,8-naphthyridine?
1,7-dimethyl-5-phenylmethoxy-3,4-dihydro-2H-1,8-naphthyridine has a molecular weight of 268.36 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-5-phenylmethoxy-3,4-dihydro-2H-1,8-naphthyridine is sourced from PubChem (CID 71386000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).