1-(4-aminocyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one

C24H22N6O — CID 58379599

IUPAC1-(4-aminocyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESNC1CCC(n2c(=O)[nH]c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1
InChIInChI=1S/C24H22N6O/c25-16-5-7-17(8-6-16)30-23-21(29-24(30)31)13-27-20-10-9-19(28-22(20)23)15-11-14-3-1-2-4-18(14)26-12-15/h1-4,9-13,16-17H,5-8,25H2,(H,29,31)
InChIKeyGGPTUXLMOLCPJR-UHFFFAOYSA-N
MW410.48 g/mol
LogP3.93
Rot. Bonds2

About 1-(4-aminocyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one

1-(4-aminocyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379599) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379599
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC Name1-(4-aminocyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESNC1CCC(n2c(=O)[nH]c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1
InChIInChI=1S/C24H22N6O/c25-16-5-7-17(8-6-16)30-23-21(29-24(30)31)13-27-20-10-9-19(28-22(20)23)15-11-14-3-1-2-4-18(14)26-12-15/h1-4,9-13,16-17H,5-8,25H2,(H,29,31)
InChIKeyGGPTUXLMOLCPJR-UHFFFAOYSA-N
XLogP3.93
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 1-(4-aminocyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379599) is 1-(4-aminocyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 1-(4-aminocyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 1-(4-aminocyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one is NC1CCC(n2c(=O)[nH]c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1.
What is the InChIKey of 1-(4-aminocyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is GGPTUXLMOLCPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c25-16-5-7-17(8-6-16)30-23-21(29-24(30)31)13-27-20-10-9-19(28-22(20)23)15-11-14-3-1-2-4-18(14)26-12-15/h1-4,9-13,16-17H,5-8,25H2,(H,29,31).
What are the key properties of 1-(4-aminocyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one?
1-(4-aminocyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 410.48 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).