6-[3-(methylamino)prop-1-enyl]-1H-quinolin-4-one

C13H14N2O — CID 169474322

IUPAC6-[3-(methylamino)prop-1-enyl]-1H-quinolin-4-one
SMILESCNCC=Cc1ccc2[nH]ccc(=O)c2c1
InChIInChI=1S/C13H14N2O/c1-14-7-2-3-10-4-5-12-11(9-10)13(16)6-8-15-12/h2-6,8-9,14H,7H2,1H3,(H,15,16)
InChIKeySYWIABLMFGHSDK-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.76
Rot. Bonds3

About 6-[3-(methylamino)prop-1-enyl]-1H-quinolin-4-one

6-[3-(methylamino)prop-1-enyl]-1H-quinolin-4-one (PubChem CID 169474322) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 6-[3-(methylamino)prop-1-enyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-[3-(methylamino)prop-1-enyl]-1H-quinolin-4-one
PubChem CID169474322
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name6-[3-(methylamino)prop-1-enyl]-1H-quinolin-4-one
SMILESCNCC=Cc1ccc2[nH]ccc(=O)c2c1
InChIInChI=1S/C13H14N2O/c1-14-7-2-3-10-4-5-12-11(9-10)13(16)6-8-15-12/h2-6,8-9,14H,7H2,1H3,(H,15,16)
InChIKeySYWIABLMFGHSDK-UHFFFAOYSA-N
XLogP1.76
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-(4-oxo-1H-quinolin-6-yl)but-3-enoate
CID 170501646
6-(3-sulfanylprop-1-enyl)-1H-quinolin-4-one
CID 169455919
N-[3-(4-oxo-1H-quinolin-7-yl)prop-2-enyl]acetamide
CID 169466219
methyl 4-(4-oxo-1H-quinolin-7-yl)but-3-enoate
CID 170501649
S-[4-(4-oxo-1H-quinolin-7-yl)but-3-enyl] ethanethioate
CID 170480883
1,9-dihydropyrido[3,2-g]quinoline-4,6-dione
CID 58898447
(4-oxo-1H-quinolin-6-yl)azanium
CID 135689638
5-[(E)-3-(sulfinoamino)prop-1-enyl]-1H-indole
CID 89272280
6-[3-(methylamino)prop-1-enyl]-1H-indole-2,3-dione
CID 169474313
(E)-4-(1H-indol-6-yl)-N-methylbut-3-en-1-amine
CID 18388284
6-(diethylamino)-1H-quinolin-4-one
CID 63180418
5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]-1H-indole-3-carboxylic acid
CID 169468298

Frequently Asked Questions

What is the IUPAC name of 6-[3-(methylamino)prop-1-enyl]-1H-quinolin-4-one?
The IUPAC name of 6-[3-(methylamino)prop-1-enyl]-1H-quinolin-4-one (CID 169474322) is 6-[3-(methylamino)prop-1-enyl]-1H-quinolin-4-one.
What is the SMILES notation for 6-[3-(methylamino)prop-1-enyl]-1H-quinolin-4-one?
The canonical SMILES for 6-[3-(methylamino)prop-1-enyl]-1H-quinolin-4-one is CNCC=Cc1ccc2[nH]ccc(=O)c2c1.
What is the InChIKey of 6-[3-(methylamino)prop-1-enyl]-1H-quinolin-4-one?
The InChIKey is SYWIABLMFGHSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-14-7-2-3-10-4-5-12-11(9-10)13(16)6-8-15-12/h2-6,8-9,14H,7H2,1H3,(H,15,16).
What are the key properties of 6-[3-(methylamino)prop-1-enyl]-1H-quinolin-4-one?
6-[3-(methylamino)prop-1-enyl]-1H-quinolin-4-one has a molecular weight of 214.27 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(methylamino)prop-1-enyl]-1H-quinolin-4-one is sourced from PubChem (CID 169474322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).