(7S,8R,9R)-7-[2-(2-methoxyethoxy)ethoxy]-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol

C23H29N3O4 — CID 10194462

IUPAC(7S,8R,9R)-7-[2-(2-methoxyethoxy)ethoxy]-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol
SMILESCOCCOCCO[C@H]1c2ccn3c(C)c(C)nc3c2N[C@H](c2ccccc2)[C@H]1O
InChIInChI=1S/C23H29N3O4/c1-15-16(2)26-10-9-18-20(23(26)24-15)25-19(17-7-5-4-6-8-17)21(27)22(18)30-14-13-29-12-11-28-3/h4-10,19,21-22,25,27H,11-14H2,1-3H3/t19-,21-,22+/m1/s1
InChIKeyVROIURMGMOPIAW-FCEUIQTBSA-N
MW411.50 g/mol
LogP3.20
Rot. Bonds8

About (7S,8R,9R)-7-[2-(2-methoxyethoxy)ethoxy]-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol

(7S,8R,9R)-7-[2-(2-methoxyethoxy)ethoxy]-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol (PubChem CID 10194462) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is (7S,8R,9R)-7-[2-(2-methoxyethoxy)ethoxy]-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol.

Molecular Properties

Compound Name(7S,8R,9R)-7-[2-(2-methoxyethoxy)ethoxy]-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol
PubChem CID10194462
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name(7S,8R,9R)-7-[2-(2-methoxyethoxy)ethoxy]-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol
SMILESCOCCOCCO[C@H]1c2ccn3c(C)c(C)nc3c2N[C@H](c2ccccc2)[C@H]1O
InChIInChI=1S/C23H29N3O4/c1-15-16(2)26-10-9-18-20(23(26)24-15)25-19(17-7-5-4-6-8-17)21(27)22(18)30-14-13-29-12-11-28-3/h4-10,19,21-22,25,27H,11-14H2,1-3H3/t19-,21-,22+/m1/s1
InChIKeyVROIURMGMOPIAW-FCEUIQTBSA-N
XLogP3.20
TPSA77.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(7S,8R,9R)-2,3-dimethyl-7-(2-methylsulfanylethoxy)-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol
CID 10237405
(7S,8R,9R)-7-methoxy-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol
CID 10215154
[(7R,8R,9R)-7-(2-methoxyethoxy)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-yl] 2-(2-hydroxyethoxy)acetate
CID 91364015
(8R,9R)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol
CID 58731364
(7R,8R,9R)-2,3-dimethyl-9-phenyl-7-(trifluoromethoxy)-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol
CID 139935408
(7S,8R,9R)-7-ethylsulfanyl-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol
CID 10150129
[(7R,8R,9R)-7-methoxy-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-yl] methyl carbonate
CID 10193995
[(7S,8R,9R)-7-methoxy-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-yl] N,N-diethylcarbamate
CID 10224068
(10S,11R,12R)-10-butoxy-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-11-ol
CID 20825993
2,3-dimethyl-7-propoxy-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol
CID 142676199
ethane;2,3,7,7,8,8-hexamethyl-9-phenyl-9,10-dihydroimidazo[1,2-h][1,7]naphthyridine
CID 90960718
1-[(7R,8R)-7-(benzylamino)-8-hydroxy-2,3-dimethyl-8,9-dihydro-7H-imidazo[1,2-h][1,7]naphthyridin-10-yl]ethanone
CID 11291481

Frequently Asked Questions

What is the IUPAC name of (7S,8R,9R)-7-[2-(2-methoxyethoxy)ethoxy]-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol?
The IUPAC name of (7S,8R,9R)-7-[2-(2-methoxyethoxy)ethoxy]-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol (CID 10194462) is (7S,8R,9R)-7-[2-(2-methoxyethoxy)ethoxy]-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol.
What is the SMILES notation for (7S,8R,9R)-7-[2-(2-methoxyethoxy)ethoxy]-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol?
The canonical SMILES for (7S,8R,9R)-7-[2-(2-methoxyethoxy)ethoxy]-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol is COCCOCCO[C@H]1c2ccn3c(C)c(C)nc3c2N[C@H](c2ccccc2)[C@H]1O.
What is the InChIKey of (7S,8R,9R)-7-[2-(2-methoxyethoxy)ethoxy]-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol?
The InChIKey is VROIURMGMOPIAW-FCEUIQTBSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-15-16(2)26-10-9-18-20(23(26)24-15)25-19(17-7-5-4-6-8-17)21(27)22(18)30-14-13-29-12-11-28-3/h4-10,19,21-22,25,27H,11-14H2,1-3H3/t19-,21-,22+/m1/s1.
What are the key properties of (7S,8R,9R)-7-[2-(2-methoxyethoxy)ethoxy]-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol?
(7S,8R,9R)-7-[2-(2-methoxyethoxy)ethoxy]-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol has a molecular weight of 411.50 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8R,9R)-7-[2-(2-methoxyethoxy)ethoxy]-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol is sourced from PubChem (CID 10194462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).