3-butan-2-yl-7-(ethylamino)-1H-quinolin-2-one

C15H20N2O — CID 170712437

IUPAC3-butan-2-yl-7-(ethylamino)-1H-quinolin-2-one
SMILESCCNc1ccc2cc(C(C)CC)c(=O)[nH]c2c1
InChIInChI=1S/C15H20N2O/c1-4-10(3)13-8-11-6-7-12(16-5-2)9-14(11)17-15(13)18/h6-10,16H,4-5H2,1-3H3,(H,17,18)
InChIKeyWWOIZFSXGLZMEW-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.47
Rot. Bonds4

About 3-butan-2-yl-7-(ethylamino)-1H-quinolin-2-one

3-butan-2-yl-7-(ethylamino)-1H-quinolin-2-one (PubChem CID 170712437) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-butan-2-yl-7-(ethylamino)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-butan-2-yl-7-(ethylamino)-1H-quinolin-2-one
PubChem CID170712437
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-butan-2-yl-7-(ethylamino)-1H-quinolin-2-one
SMILESCCNc1ccc2cc(C(C)CC)c(=O)[nH]c2c1
InChIInChI=1S/C15H20N2O/c1-4-10(3)13-8-11-6-7-12(16-5-2)9-14(11)17-15(13)18/h6-10,16H,4-5H2,1-3H3,(H,17,18)
InChIKeyWWOIZFSXGLZMEW-UHFFFAOYSA-N
XLogP3.47
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methylquinolin-2(1H)-one
CID 12237458
Propanamide, N-(1-ethyl-1,2,3,4-tetrahydro-2,2,4-trimethyl-7-quinolinyl)-
CID 112580
7-Amino-4-methyl-2-quinolinone
CID 88277
2-Acetylamino-4-aminotoluene
CID 79492
N-(3-amino-4-methylphenyl)acetamide
CID 22865
2,4-Diacetylaminotoluene
CID 94871
4-Amino-1,2-dihydroquinolin-2-one
CID 459666
3-methylquinolin-2(1H)-one
CID 440987
7-Amino-4-trifluoromethyl-2-quinolinone
CID 194069
7-((2,2,3,3,3-Pentafluoropropyl)amino)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 22278979
6-Ethyl-7-(methylamino)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 22278998
7-Methylamino-4-trifluoromethyl-2(1h)-quinolinone
CID 22279012

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-7-(ethylamino)-1H-quinolin-2-one?
The IUPAC name of 3-butan-2-yl-7-(ethylamino)-1H-quinolin-2-one (CID 170712437) is 3-butan-2-yl-7-(ethylamino)-1H-quinolin-2-one.
What is the SMILES notation for 3-butan-2-yl-7-(ethylamino)-1H-quinolin-2-one?
The canonical SMILES for 3-butan-2-yl-7-(ethylamino)-1H-quinolin-2-one is CCNc1ccc2cc(C(C)CC)c(=O)[nH]c2c1.
What is the InChIKey of 3-butan-2-yl-7-(ethylamino)-1H-quinolin-2-one?
The InChIKey is WWOIZFSXGLZMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-10(3)13-8-11-6-7-12(16-5-2)9-14(11)17-15(13)18/h6-10,16H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 3-butan-2-yl-7-(ethylamino)-1H-quinolin-2-one?
3-butan-2-yl-7-(ethylamino)-1H-quinolin-2-one has a molecular weight of 244.34 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-7-(ethylamino)-1H-quinolin-2-one is sourced from PubChem (CID 170712437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).