4-[N-methyl-2-(methylamino)anilino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

C17H21N3O — CID 101239893

IUPAC4-[N-methyl-2-(methylamino)anilino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCNc1ccccc1N(C)c1cc(=O)[nH]c2c1CCCC2
InChIInChI=1S/C17H21N3O/c1-18-14-9-5-6-10-15(14)20(2)16-11-17(21)19-13-8-4-3-7-12(13)16/h5-6,9-11,18H,3-4,7-8H2,1-2H3,(H,19,21)
InChIKeySBNZAQREQCSYIA-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.06
Rot. Bonds3

About 4-[N-methyl-2-(methylamino)anilino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

4-[N-methyl-2-(methylamino)anilino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 101239893) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-[N-methyl-2-(methylamino)anilino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[N-methyl-2-(methylamino)anilino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID101239893
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4-[N-methyl-2-(methylamino)anilino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCNc1ccccc1N(C)c1cc(=O)[nH]c2c1CCCC2
InChIInChI=1S/C17H21N3O/c1-18-14-9-5-6-10-15(14)20(2)16-11-17(21)19-13-8-4-3-7-12(13)16/h5-6,9-11,18H,3-4,7-8H2,1-2H3,(H,19,21)
InChIKeySBNZAQREQCSYIA-UHFFFAOYSA-N
XLogP3.06
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[N-methyl-2-(methylamino)anilino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 4-[N-methyl-2-(methylamino)anilino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 101239893) is 4-[N-methyl-2-(methylamino)anilino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 4-[N-methyl-2-(methylamino)anilino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 4-[N-methyl-2-(methylamino)anilino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is CNc1ccccc1N(C)c1cc(=O)[nH]c2c1CCCC2.
What is the InChIKey of 4-[N-methyl-2-(methylamino)anilino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is SBNZAQREQCSYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-18-14-9-5-6-10-15(14)20(2)16-11-17(21)19-13-8-4-3-7-12(13)16/h5-6,9-11,18H,3-4,7-8H2,1-2H3,(H,19,21).
What are the key properties of 4-[N-methyl-2-(methylamino)anilino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
4-[N-methyl-2-(methylamino)anilino]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 283.38 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-methyl-2-(methylamino)anilino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 101239893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).