2,3-dimethoxy-N-[1-(oxolan-3-yl)piperidin-4-yl]-6,7,8,9-tetrahydrobenzo[b][1,5]naphthyridin-10-amine

C23H32N4O3 — CID 166560802

IUPAC2,3-dimethoxy-N-[1-(oxolan-3-yl)piperidin-4-yl]-6,7,8,9-tetrahydrobenzo[b][1,5]naphthyridin-10-amine
SMILESCOc1cc2nc3c(c(NC4CCN(C5CCOC5)CC4)c2nc1OC)CCCC3
InChIInChI=1S/C23H32N4O3/c1-28-20-13-19-22(26-23(20)29-2)21(17-5-3-4-6-18(17)25-19)24-15-7-10-27(11-8-15)16-9-12-30-14-16/h13,15-16H,3-12,14H2,1-2H3,(H,24,25)
InChIKeyNKROAFGINBNPAH-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.19
Rot. Bonds5

About 2,3-dimethoxy-N-[1-(oxolan-3-yl)piperidin-4-yl]-6,7,8,9-tetrahydrobenzo[b][1,5]naphthyridin-10-amine

2,3-dimethoxy-N-[1-(oxolan-3-yl)piperidin-4-yl]-6,7,8,9-tetrahydrobenzo[b][1,5]naphthyridin-10-amine (PubChem CID 166560802) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[1-(oxolan-3-yl)piperidin-4-yl]-6,7,8,9-tetrahydrobenzo[b][1,5]naphthyridin-10-amine.

Molecular Properties

Compound Name2,3-dimethoxy-N-[1-(oxolan-3-yl)piperidin-4-yl]-6,7,8,9-tetrahydrobenzo[b][1,5]naphthyridin-10-amine
PubChem CID166560802
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name2,3-dimethoxy-N-[1-(oxolan-3-yl)piperidin-4-yl]-6,7,8,9-tetrahydrobenzo[b][1,5]naphthyridin-10-amine
SMILESCOc1cc2nc3c(c(NC4CCN(C5CCOC5)CC4)c2nc1OC)CCCC3
InChIInChI=1S/C23H32N4O3/c1-28-20-13-19-22(26-23(20)29-2)21(17-5-3-4-6-18(17)25-19)24-15-7-10-27(11-8-15)16-9-12-30-14-16/h13,15-16H,3-12,14H2,1-2H3,(H,24,25)
InChIKeyNKROAFGINBNPAH-UHFFFAOYSA-N
XLogP3.19
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[1-(oxolan-3-yl)piperidin-4-yl]-6,7,8,9-tetrahydrobenzo[b][1,5]naphthyridin-10-amine?
The IUPAC name of 2,3-dimethoxy-N-[1-(oxolan-3-yl)piperidin-4-yl]-6,7,8,9-tetrahydrobenzo[b][1,5]naphthyridin-10-amine (CID 166560802) is 2,3-dimethoxy-N-[1-(oxolan-3-yl)piperidin-4-yl]-6,7,8,9-tetrahydrobenzo[b][1,5]naphthyridin-10-amine.
What is the SMILES notation for 2,3-dimethoxy-N-[1-(oxolan-3-yl)piperidin-4-yl]-6,7,8,9-tetrahydrobenzo[b][1,5]naphthyridin-10-amine?
The canonical SMILES for 2,3-dimethoxy-N-[1-(oxolan-3-yl)piperidin-4-yl]-6,7,8,9-tetrahydrobenzo[b][1,5]naphthyridin-10-amine is COc1cc2nc3c(c(NC4CCN(C5CCOC5)CC4)c2nc1OC)CCCC3.
What is the InChIKey of 2,3-dimethoxy-N-[1-(oxolan-3-yl)piperidin-4-yl]-6,7,8,9-tetrahydrobenzo[b][1,5]naphthyridin-10-amine?
The InChIKey is NKROAFGINBNPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-28-20-13-19-22(26-23(20)29-2)21(17-5-3-4-6-18(17)25-19)24-15-7-10-27(11-8-15)16-9-12-30-14-16/h13,15-16H,3-12,14H2,1-2H3,(H,24,25).
What are the key properties of 2,3-dimethoxy-N-[1-(oxolan-3-yl)piperidin-4-yl]-6,7,8,9-tetrahydrobenzo[b][1,5]naphthyridin-10-amine?
2,3-dimethoxy-N-[1-(oxolan-3-yl)piperidin-4-yl]-6,7,8,9-tetrahydrobenzo[b][1,5]naphthyridin-10-amine has a molecular weight of 412.53 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[1-(oxolan-3-yl)piperidin-4-yl]-6,7,8,9-tetrahydrobenzo[b][1,5]naphthyridin-10-amine is sourced from PubChem (CID 166560802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).