1-[2-[di(propan-2-yl)amino]ethyl]-5,7-dimethyl-1,8-naphthyridin-2-one

C18H27N3O — CID 22753551

IUPAC1-[2-[di(propan-2-yl)amino]ethyl]-5,7-dimethyl-1,8-naphthyridin-2-one
SMILESCc1cc(C)c2ccc(=O)n(CCN(C(C)C)C(C)C)c2n1
InChIInChI=1S/C18H27N3O/c1-12(2)20(13(3)4)9-10-21-17(22)8-7-16-14(5)11-15(6)19-18(16)21/h7-8,11-13H,9-10H2,1-6H3
InChIKeyDMAVWHMFMKGVEG-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.13
Rot. Bonds5

About 1-[2-[di(propan-2-yl)amino]ethyl]-5,7-dimethyl-1,8-naphthyridin-2-one

1-[2-[di(propan-2-yl)amino]ethyl]-5,7-dimethyl-1,8-naphthyridin-2-one (PubChem CID 22753551) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-[2-[di(propan-2-yl)amino]ethyl]-5,7-dimethyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-[2-[di(propan-2-yl)amino]ethyl]-5,7-dimethyl-1,8-naphthyridin-2-one
PubChem CID22753551
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name1-[2-[di(propan-2-yl)amino]ethyl]-5,7-dimethyl-1,8-naphthyridin-2-one
SMILESCc1cc(C)c2ccc(=O)n(CCN(C(C)C)C(C)C)c2n1
InChIInChI=1S/C18H27N3O/c1-12(2)20(13(3)4)9-10-21-17(22)8-7-16-14(5)11-15(6)19-18(16)21/h7-8,11-13H,9-10H2,1-6H3
InChIKeyDMAVWHMFMKGVEG-UHFFFAOYSA-N
XLogP3.13
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[di(propan-2-yl)amino]ethyl]-5,7-dimethyl-1,8-naphthyridin-2-one?
The IUPAC name of 1-[2-[di(propan-2-yl)amino]ethyl]-5,7-dimethyl-1,8-naphthyridin-2-one (CID 22753551) is 1-[2-[di(propan-2-yl)amino]ethyl]-5,7-dimethyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-[2-[di(propan-2-yl)amino]ethyl]-5,7-dimethyl-1,8-naphthyridin-2-one?
The canonical SMILES for 1-[2-[di(propan-2-yl)amino]ethyl]-5,7-dimethyl-1,8-naphthyridin-2-one is Cc1cc(C)c2ccc(=O)n(CCN(C(C)C)C(C)C)c2n1.
What is the InChIKey of 1-[2-[di(propan-2-yl)amino]ethyl]-5,7-dimethyl-1,8-naphthyridin-2-one?
The InChIKey is DMAVWHMFMKGVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-12(2)20(13(3)4)9-10-21-17(22)8-7-16-14(5)11-15(6)19-18(16)21/h7-8,11-13H,9-10H2,1-6H3.
What are the key properties of 1-[2-[di(propan-2-yl)amino]ethyl]-5,7-dimethyl-1,8-naphthyridin-2-one?
1-[2-[di(propan-2-yl)amino]ethyl]-5,7-dimethyl-1,8-naphthyridin-2-one has a molecular weight of 301.43 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[di(propan-2-yl)amino]ethyl]-5,7-dimethyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 22753551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).