7-(prop-1-en-2-ylamino)quinoline-5,8-dione

C12H10N2O2 — CID 146506137

IUPAC7-(prop-1-en-2-ylamino)quinoline-5,8-dione
SMILESC=C(C)NC1=CC(=O)c2cccnc2C1=O
InChIInChI=1S/C12H10N2O2/c1-7(2)14-9-6-10(15)8-4-3-5-13-11(8)12(9)16/h3-6,14H,1H2,2H3
InChIKeyJDMLQSVTNLOONM-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.47
Rot. Bonds2

About 7-(prop-1-en-2-ylamino)quinoline-5,8-dione

7-(prop-1-en-2-ylamino)quinoline-5,8-dione (PubChem CID 146506137) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 7-(prop-1-en-2-ylamino)quinoline-5,8-dione.

Molecular Properties

Compound Name7-(prop-1-en-2-ylamino)quinoline-5,8-dione
PubChem CID146506137
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name7-(prop-1-en-2-ylamino)quinoline-5,8-dione
SMILESC=C(C)NC1=CC(=O)c2cccnc2C1=O
InChIInChI=1S/C12H10N2O2/c1-7(2)14-9-6-10(15)8-4-3-5-13-11(8)12(9)16/h3-6,14H,1H2,2H3
InChIKeyJDMLQSVTNLOONM-UHFFFAOYSA-N
XLogP1.47
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

CID 9589
CID 9589
CID 47289
CID 47289
CID 21540
CID 21540
CID 7038
CID 7038
CID 78007
CID 78007
CID 3976
CID 3976
CID 95292
CID 95292
CID 5766
CID 5766
CID 564760
CID 564760
CID 31447
CID 31447
CID 379077
CID 379077
CID 74463
CID 74463

Frequently Asked Questions

What is the IUPAC name of 7-(prop-1-en-2-ylamino)quinoline-5,8-dione?
The IUPAC name of 7-(prop-1-en-2-ylamino)quinoline-5,8-dione (CID 146506137) is 7-(prop-1-en-2-ylamino)quinoline-5,8-dione.
What is the SMILES notation for 7-(prop-1-en-2-ylamino)quinoline-5,8-dione?
The canonical SMILES for 7-(prop-1-en-2-ylamino)quinoline-5,8-dione is C=C(C)NC1=CC(=O)c2cccnc2C1=O.
What is the InChIKey of 7-(prop-1-en-2-ylamino)quinoline-5,8-dione?
The InChIKey is JDMLQSVTNLOONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-7(2)14-9-6-10(15)8-4-3-5-13-11(8)12(9)16/h3-6,14H,1H2,2H3.
What are the key properties of 7-(prop-1-en-2-ylamino)quinoline-5,8-dione?
7-(prop-1-en-2-ylamino)quinoline-5,8-dione has a molecular weight of 214.22 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(prop-1-en-2-ylamino)quinoline-5,8-dione is sourced from PubChem (CID 146506137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).