1-[2-(3-methylanilino)ethyl]quinolin-4-one

C18H18N2O — CID 62565332

IUPAC1-[2-(3-methylanilino)ethyl]quinolin-4-one
SMILESCc1cccc(NCCn2ccc(=O)c3ccccc32)c1
InChIInChI=1S/C18H18N2O/c1-14-5-4-6-15(13-14)19-10-12-20-11-9-18(21)16-7-2-3-8-17(16)20/h2-9,11,13,19H,10,12H2,1H3
InChIKeyTVVMTVHPUGNBFL-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.42
Rot. Bonds4

About 1-[2-(3-methylanilino)ethyl]quinolin-4-one

1-[2-(3-methylanilino)ethyl]quinolin-4-one (PubChem CID 62565332) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-[2-(3-methylanilino)ethyl]quinolin-4-one.

Molecular Properties

Compound Name1-[2-(3-methylanilino)ethyl]quinolin-4-one
PubChem CID62565332
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name1-[2-(3-methylanilino)ethyl]quinolin-4-one
SMILESCc1cccc(NCCn2ccc(=O)c3ccccc32)c1
InChIInChI=1S/C18H18N2O/c1-14-5-4-6-15(13-14)19-10-12-20-11-9-18(21)16-7-2-3-8-17(16)20/h2-9,11,13,19H,10,12H2,1H3
InChIKeyTVVMTVHPUGNBFL-UHFFFAOYSA-N
XLogP3.42
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-chloroanilino)ethyl]quinolin-4-one
CID 62564944
3-bromo-N-[2-(5-methylindol-1-yl)ethyl]aniline
CID 63556023
5-bromo-3-methyl-1-[2-(3-methylanilino)ethyl]pyridin-2-one
CID 83133830
2-[2-(3-methylanilino)ethyl]phthalazin-1-one
CID 62564352
3-chloro-N-[2-(4-methoxyindol-1-yl)ethyl]aniline
CID 83164894
1-[2-(3-methylanilino)ethyl]quinoxalin-2-one
CID 62564206
1-[2-(1-cyclopropylethylamino)ethyl]quinolin-4-one
CID 62565537
1-(2-piperidin-1-ylethyl)quinolin-4-one
CID 141163131
3-(4-oxoquinolin-1-yl)propanoic acid
CID 53264528
5-methyl-3-[2-(3-methylanilino)ethyl]-1,3-benzoxazol-2-one
CID 176909803
N-(2-ethylsulfonylethyl)-3-methylaniline
CID 43807532
3-(4-oxoquinolin-1-yl)propanamide
CID 53264488

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylanilino)ethyl]quinolin-4-one?
The IUPAC name of 1-[2-(3-methylanilino)ethyl]quinolin-4-one (CID 62565332) is 1-[2-(3-methylanilino)ethyl]quinolin-4-one.
What is the SMILES notation for 1-[2-(3-methylanilino)ethyl]quinolin-4-one?
The canonical SMILES for 1-[2-(3-methylanilino)ethyl]quinolin-4-one is Cc1cccc(NCCn2ccc(=O)c3ccccc32)c1.
What is the InChIKey of 1-[2-(3-methylanilino)ethyl]quinolin-4-one?
The InChIKey is TVVMTVHPUGNBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-14-5-4-6-15(13-14)19-10-12-20-11-9-18(21)16-7-2-3-8-17(16)20/h2-9,11,13,19H,10,12H2,1H3.
What are the key properties of 1-[2-(3-methylanilino)ethyl]quinolin-4-one?
1-[2-(3-methylanilino)ethyl]quinolin-4-one has a molecular weight of 278.36 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylanilino)ethyl]quinolin-4-one is sourced from PubChem (CID 62565332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).