1-(6,7-dimethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-[6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]propan-2-ol

C28H34N4O2 — CID 6636365

IUPAC1-(6,7-dimethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-[6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]propan-2-ol
SMILESCOc1ccc(-c2ccc3c(n2)CCCN3CC(O)CN2CCCc3nc(C)c(C)cc32)cc1
InChIInChI=1S/C28H34N4O2/c1-19-16-28-26(29-20(19)2)7-5-15-32(28)18-22(33)17-31-14-4-6-25-27(31)13-12-24(30-25)21-8-10-23(34-3)11-9-21/h8-13,16,22,33H,4-7,14-15,17-18H2,1-3H3
InChIKeyWTTDZBWUFFBFJV-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.34
Rot. Bonds6

About 1-(6,7-dimethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-[6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]propan-2-ol

1-(6,7-dimethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-[6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]propan-2-ol (PubChem CID 6636365) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is 1-(6,7-dimethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-[6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(6,7-dimethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-[6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]propan-2-ol
PubChem CID6636365
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC Name1-(6,7-dimethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-[6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]propan-2-ol
SMILESCOc1ccc(-c2ccc3c(n2)CCCN3CC(O)CN2CCCc3nc(C)c(C)cc32)cc1
InChIInChI=1S/C28H34N4O2/c1-19-16-28-26(29-20(19)2)7-5-15-32(28)18-22(33)17-31-14-4-6-25-27(31)13-12-24(30-25)21-8-10-23(34-3)11-9-21/h8-13,16,22,33H,4-7,14-15,17-18H2,1-3H3
InChIKeyWTTDZBWUFFBFJV-UHFFFAOYSA-N
XLogP4.34
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(6,7-dimethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-[6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dimethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-[6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]propan-2-ol?
The IUPAC name of 1-(6,7-dimethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-[6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]propan-2-ol (CID 6636365) is 1-(6,7-dimethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-[6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(6,7-dimethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-[6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]propan-2-ol?
The canonical SMILES for 1-(6,7-dimethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-[6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]propan-2-ol is COc1ccc(-c2ccc3c(n2)CCCN3CC(O)CN2CCCc3nc(C)c(C)cc32)cc1.
What is the InChIKey of 1-(6,7-dimethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-[6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]propan-2-ol?
The InChIKey is WTTDZBWUFFBFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-19-16-28-26(29-20(19)2)7-5-15-32(28)18-22(33)17-31-14-4-6-25-27(31)13-12-24(30-25)21-8-10-23(34-3)11-9-21/h8-13,16,22,33H,4-7,14-15,17-18H2,1-3H3.
What are the key properties of 1-(6,7-dimethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-[6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]propan-2-ol?
1-(6,7-dimethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-[6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]propan-2-ol has a molecular weight of 458.61 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dimethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-[6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]propan-2-ol is sourced from PubChem (CID 6636365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).