1-[2-(dicyclohexylamino)ethyl]-5,7-dimethyl-1,8-naphthyridin-2-one

C24H35N3O — CID 90668676

IUPAC1-[2-(dicyclohexylamino)ethyl]-5,7-dimethyl-1,8-naphthyridin-2-one
SMILESCc1cc(C)c2ccc(=O)n(CCN(C3CCCCC3)C3CCCCC3)c2n1
InChIInChI=1S/C24H35N3O/c1-18-17-19(2)25-24-22(18)13-14-23(28)27(24)16-15-26(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h13-14,17,20-21H,3-12,15-16H2,1-2H3
InChIKeyJHGWMHKFPNWBKN-UHFFFAOYSA-N
MW381.56 g/mol
LogP4.98
Rot. Bonds5

About 1-[2-(dicyclohexylamino)ethyl]-5,7-dimethyl-1,8-naphthyridin-2-one

1-[2-(dicyclohexylamino)ethyl]-5,7-dimethyl-1,8-naphthyridin-2-one (PubChem CID 90668676) has the molecular formula C24H35N3O and a molecular weight of 381.56 g/mol. Its IUPAC name is 1-[2-(dicyclohexylamino)ethyl]-5,7-dimethyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-[2-(dicyclohexylamino)ethyl]-5,7-dimethyl-1,8-naphthyridin-2-one
PubChem CID90668676
Molecular FormulaC24H35N3O
Molecular Weight381.56 g/mol
Exact Mass381.28
IUPAC Name1-[2-(dicyclohexylamino)ethyl]-5,7-dimethyl-1,8-naphthyridin-2-one
SMILESCc1cc(C)c2ccc(=O)n(CCN(C3CCCCC3)C3CCCCC3)c2n1
InChIInChI=1S/C24H35N3O/c1-18-17-19(2)25-24-22(18)13-14-23(28)27(24)16-15-26(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h13-14,17,20-21H,3-12,15-16H2,1-2H3
InChIKeyJHGWMHKFPNWBKN-UHFFFAOYSA-N
XLogP4.98
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.56
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dicyclohexylamino)ethyl]-5,7-dimethyl-1,8-naphthyridin-2-one?
The IUPAC name of 1-[2-(dicyclohexylamino)ethyl]-5,7-dimethyl-1,8-naphthyridin-2-one (CID 90668676) is 1-[2-(dicyclohexylamino)ethyl]-5,7-dimethyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-[2-(dicyclohexylamino)ethyl]-5,7-dimethyl-1,8-naphthyridin-2-one?
The canonical SMILES for 1-[2-(dicyclohexylamino)ethyl]-5,7-dimethyl-1,8-naphthyridin-2-one is Cc1cc(C)c2ccc(=O)n(CCN(C3CCCCC3)C3CCCCC3)c2n1.
What is the InChIKey of 1-[2-(dicyclohexylamino)ethyl]-5,7-dimethyl-1,8-naphthyridin-2-one?
The InChIKey is JHGWMHKFPNWBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O/c1-18-17-19(2)25-24-22(18)13-14-23(28)27(24)16-15-26(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h13-14,17,20-21H,3-12,15-16H2,1-2H3.
What are the key properties of 1-[2-(dicyclohexylamino)ethyl]-5,7-dimethyl-1,8-naphthyridin-2-one?
1-[2-(dicyclohexylamino)ethyl]-5,7-dimethyl-1,8-naphthyridin-2-one has a molecular weight of 381.56 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dicyclohexylamino)ethyl]-5,7-dimethyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 90668676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).