1,7-dimethyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3,4-dihydro-2H-1,8-naphthyridine

C24H24N6O — CID 57152557

IUPAC1,7-dimethyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3,4-dihydro-2H-1,8-naphthyridine
SMILESCc1cc(OCc2ccc(-c3ccccc3)c(-c3nn[nH]n3)c2)c2c(n1)N(C)CCC2
InChIInChI=1S/C24H24N6O/c1-16-13-22(20-9-6-12-30(2)24(20)25-16)31-15-17-10-11-19(18-7-4-3-5-8-18)21(14-17)23-26-28-29-27-23/h3-5,7-8,10-11,13-14H,6,9,12,15H2,1-2H3,(H,26,27,28,29)
InChIKeyKJBDDPYZANHLBJ-UHFFFAOYSA-N
MW412.50 g/mol
LogP4.20
Rot. Bonds5

About 1,7-dimethyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3,4-dihydro-2H-1,8-naphthyridine

1,7-dimethyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3,4-dihydro-2H-1,8-naphthyridine (PubChem CID 57152557) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is 1,7-dimethyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3,4-dihydro-2H-1,8-naphthyridine.

Molecular Properties

Compound Name1,7-dimethyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3,4-dihydro-2H-1,8-naphthyridine
PubChem CID57152557
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC Name1,7-dimethyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3,4-dihydro-2H-1,8-naphthyridine
SMILESCc1cc(OCc2ccc(-c3ccccc3)c(-c3nn[nH]n3)c2)c2c(n1)N(C)CCC2
InChIInChI=1S/C24H24N6O/c1-16-13-22(20-9-6-12-30(2)24(20)25-16)31-15-17-10-11-19(18-7-4-3-5-8-18)21(14-17)23-26-28-29-27-23/h3-5,7-8,10-11,13-14H,6,9,12,15H2,1-2H3,(H,26,27,28,29)
InChIKeyKJBDDPYZANHLBJ-UHFFFAOYSA-N
XLogP4.20
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,7-dimethyl-5-phenylmethoxy-3,4-dihydro-2H-1,8-naphthyridine
CID 71386000
2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3-pyridin-2-ylpyridine
CID 57206384
ethyl 2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylate
CID 57246030
6-benzyl-2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine
CID 57006957
2,6-dimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine-3-carboxylic acid
CID 14950487
2-(methoxymethyl)-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline
CID 57281004
2,6-diethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylic acid
CID 57197947
5-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)oxymethyl]-9-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
CID 10095241
2-ethyl-6-methoxy-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline
CID 57314307
methyl 6-methyl-2-propyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine-3-carboxylate
CID 14950504
6-benzyl-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine
CID 19771734
2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline-7-carbonitrile
CID 57011234

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3,4-dihydro-2H-1,8-naphthyridine?
The IUPAC name of 1,7-dimethyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3,4-dihydro-2H-1,8-naphthyridine (CID 57152557) is 1,7-dimethyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3,4-dihydro-2H-1,8-naphthyridine.
What is the SMILES notation for 1,7-dimethyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3,4-dihydro-2H-1,8-naphthyridine?
The canonical SMILES for 1,7-dimethyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3,4-dihydro-2H-1,8-naphthyridine is Cc1cc(OCc2ccc(-c3ccccc3)c(-c3nn[nH]n3)c2)c2c(n1)N(C)CCC2.
What is the InChIKey of 1,7-dimethyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3,4-dihydro-2H-1,8-naphthyridine?
The InChIKey is KJBDDPYZANHLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-16-13-22(20-9-6-12-30(2)24(20)25-16)31-15-17-10-11-19(18-7-4-3-5-8-18)21(14-17)23-26-28-29-27-23/h3-5,7-8,10-11,13-14H,6,9,12,15H2,1-2H3,(H,26,27,28,29).
What are the key properties of 1,7-dimethyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3,4-dihydro-2H-1,8-naphthyridine?
1,7-dimethyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3,4-dihydro-2H-1,8-naphthyridine has a molecular weight of 412.50 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3,4-dihydro-2H-1,8-naphthyridine is sourced from PubChem (CID 57152557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).