4-[6-(methylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-3-oxobutanenitrile

C14H15N3O2 — CID 117038333

IUPAC4-[6-(methylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-3-oxobutanenitrile
SMILESCNc1ccc2c(c1)CCC(=O)N2CC(=O)CC#N
InChIInChI=1S/C14H15N3O2/c1-16-11-3-4-13-10(8-11)2-5-14(19)17(13)9-12(18)6-7-15/h3-4,8,16H,2,5-6,9H2,1H3
InChIKeyCMMILDGKCDVODE-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.49
Rot. Bonds4

About 4-[6-(methylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-3-oxobutanenitrile

4-[6-(methylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-3-oxobutanenitrile (PubChem CID 117038333) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-[6-(methylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-3-oxobutanenitrile.

Molecular Properties

Compound Name4-[6-(methylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-3-oxobutanenitrile
PubChem CID117038333
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-[6-(methylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-3-oxobutanenitrile
SMILESCNc1ccc2c(c1)CCC(=O)N2CC(=O)CC#N
InChIInChI=1S/C14H15N3O2/c1-16-11-3-4-13-10(8-11)2-5-14(19)17(13)9-12(18)6-7-15/h3-4,8,16H,2,5-6,9H2,1H3
InChIKeyCMMILDGKCDVODE-UHFFFAOYSA-N
XLogP1.49
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(methylamino)-1-(3-oxobutyl)-3,4-dihydroquinolin-2-one
CID 115235513
1-(2-amino-2-methylpropyl)-6-(methylamino)-3,4-dihydroquinolin-2-one
CID 115135758
6-(methylamino)-1-(3-sulfanylpropyl)-3,4-dihydroquinolin-2-one
CID 115224728
2-[6-(methylaminomethyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid
CID 115218053
2-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]ethene-1,1,2-tricarbonitrile
CID 168608537
methyl 6-(methylamino)-2-oxo-3,4-dihydroquinoline-1-carboxylate
CID 115190471
6-(methylaminomethyl)-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one
CID 115234864
6-(methylamino)-1-[3-(methylamino)propanoyl]-3,4-dihydroquinolin-2-one
CID 115153207
5-(methylamino)-2-oxo-3H-indole-1-carbonyl cyanide
CID 115172000
ethyl 4-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-3-oxobutanoate
CID 63899076
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-methylpropanamide
CID 20933542
1-ethyl-5-(methylamino)-3H-indol-2-one
CID 82551072

Frequently Asked Questions

What is the IUPAC name of 4-[6-(methylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-3-oxobutanenitrile?
The IUPAC name of 4-[6-(methylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-3-oxobutanenitrile (CID 117038333) is 4-[6-(methylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-3-oxobutanenitrile.
What is the SMILES notation for 4-[6-(methylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-3-oxobutanenitrile?
The canonical SMILES for 4-[6-(methylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-3-oxobutanenitrile is CNc1ccc2c(c1)CCC(=O)N2CC(=O)CC#N.
What is the InChIKey of 4-[6-(methylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-3-oxobutanenitrile?
The InChIKey is CMMILDGKCDVODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-16-11-3-4-13-10(8-11)2-5-14(19)17(13)9-12(18)6-7-15/h3-4,8,16H,2,5-6,9H2,1H3.
What are the key properties of 4-[6-(methylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-3-oxobutanenitrile?
4-[6-(methylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-3-oxobutanenitrile has a molecular weight of 257.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(methylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-3-oxobutanenitrile is sourced from PubChem (CID 117038333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).