5-[8-(dimethylamino)quinolin-5-yl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

C19H25N7 — CID 169376661

IUPAC5-[8-(dimethylamino)quinolin-5-yl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SMILESCN(C)c1ccc(N2C(N)=NC(N)=NC23CCCCC3)c2cccnc12
InChIInChI=1S/C19H25N7/c1-25(2)15-9-8-14(13-7-6-12-22-16(13)15)26-18(21)23-17(20)24-19(26)10-4-3-5-11-19/h6-9,12H,3-5,10-11H2,1-2H3,(H4,20,21,23,24)
InChIKeyPWINUCMLOVWALH-UHFFFAOYSA-N
MW351.46 g/mol
LogP2.41
Rot. Bonds2

About 5-[8-(dimethylamino)quinolin-5-yl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

5-[8-(dimethylamino)quinolin-5-yl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (PubChem CID 169376661) has the molecular formula C19H25N7 and a molecular weight of 351.46 g/mol. Its IUPAC name is 5-[8-(dimethylamino)quinolin-5-yl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.

Molecular Properties

Compound Name5-[8-(dimethylamino)quinolin-5-yl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
PubChem CID169376661
Molecular FormulaC19H25N7
Molecular Weight351.46 g/mol
Exact Mass351.22
IUPAC Name5-[8-(dimethylamino)quinolin-5-yl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SMILESCN(C)c1ccc(N2C(N)=NC(N)=NC23CCCCC3)c2cccnc12
InChIInChI=1S/C19H25N7/c1-25(2)15-9-8-14(13-7-6-12-22-16(13)15)26-18(21)23-17(20)24-19(26)10-4-3-5-11-19/h6-9,12H,3-5,10-11H2,1-2H3,(H4,20,21,23,24)
InChIKeyPWINUCMLOVWALH-UHFFFAOYSA-N
XLogP2.41
TPSA96.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[8-(dimethylamino)quinolin-5-yl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The IUPAC name of 5-[8-(dimethylamino)quinolin-5-yl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (CID 169376661) is 5-[8-(dimethylamino)quinolin-5-yl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.
What is the SMILES notation for 5-[8-(dimethylamino)quinolin-5-yl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The canonical SMILES for 5-[8-(dimethylamino)quinolin-5-yl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is CN(C)c1ccc(N2C(N)=NC(N)=NC23CCCCC3)c2cccnc12.
What is the InChIKey of 5-[8-(dimethylamino)quinolin-5-yl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The InChIKey is PWINUCMLOVWALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7/c1-25(2)15-9-8-14(13-7-6-12-22-16(13)15)26-18(21)23-17(20)24-19(26)10-4-3-5-11-19/h6-9,12H,3-5,10-11H2,1-2H3,(H4,20,21,23,24).
What are the key properties of 5-[8-(dimethylamino)quinolin-5-yl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
5-[8-(dimethylamino)quinolin-5-yl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine has a molecular weight of 351.46 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(dimethylamino)quinolin-5-yl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is sourced from PubChem (CID 169376661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).