[(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

C24H30N4O3 — CID 10224068

IUPAC[(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
SMILESCCN(CC)C(=O)O[C@@H]1[C@@H](c2ccccc2)Nc2c(ccn3c(C)c(C)nc23)[C@@H]1OC
InChIInChI=1S/C24H30N4O3/c1-6-27(7-2)24(29)31-22-19(17-11-9-8-10-12-17)26-20-18(21(22)30-5)13-14-28-16(4)15(3)25-23(20)28/h8-14,19,21-22,26H,6-7H2,1-5H3/t19-,21+,22-/m1/s1
InChIKeyXLVHSMUCKCXRRQ-BAGYTPMASA-N
MW422.53 g/mol
LogP4.65
Rot. Bonds5

About [(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

[(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 (PubChem CID 10224068) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID10224068
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name[(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
SMILESCCN(CC)C(=O)O[C@@H]1[C@@H](c2ccccc2)Nc2c(ccn3c(C)c(C)nc23)[C@@H]1OC
InChIInChI=1S/C24H30N4O3/c1-6-27(7-2)24(29)31-22-19(17-11-9-8-10-12-17)26-20-18(21(22)30-5)13-14-28-16(4)15(3)25-23(20)28/h8-14,19,21-22,26H,6-7H2,1-5H3/t19-,21+,22-/m1/s1
InChIKeyXLVHSMUCKCXRRQ-BAGYTPMASA-N
XLogP4.65
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(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-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
(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
(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
[10-acetyl-2,3-dimethyl-9-phenyl-7-(1,1,2,2-tetradeuterio-2-methoxyethoxy)-8,9-dihydro-7H-imidazo[1,2-h][1,7]naphthyridin-8-yl] 2,2-dimethylpropanoate
CID 87757200
2,3-dimethyl-9-thiophen-3-yl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol
CID 10286449
N,2,3-trimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-6-carboxamide
CID 11359568
N,N,2,3-tetramethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-6-carboxamide
CID 11484848
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-methoxy-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-yl] N,N-diethylcarbamate?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is CCN(CC)C(=O)O[C@@H]1[C@@H](c2ccccc2)Nc2c(ccn3c(C)c(C)nc23)[C@@H]1OC.
What is the InChIKey of [(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?
The InChIKey is XLVHSMUCKCXRRQ-BAGYTPMASA-N. The full InChI is InChI=1S/C24H30N4O3/c1-6-27(7-2)24(29)31-22-19(17-11-9-8-10-12-17)26-20-18(21(22)30-5)13-14-28-16(4)15(3)25-23(20)28/h8-14,19,21-22,26H,6-7H2,1-5H3/t19-,21+,22-/m1/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 422.53 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 10224068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).