N-tert-butyl-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide

C18H24N2O2 — CID 110331576

IUPACN-tert-butyl-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCc1cc(C)c2[nH]c(=O)c(CCC(=O)NC(C)(C)C)cc2c1
InChIInChI=1S/C18H24N2O2/c1-11-8-12(2)16-14(9-11)10-13(17(22)19-16)6-7-15(21)20-18(3,4)5/h8-10H,6-7H2,1-5H3,(H,19,22)(H,20,21)
InChIKeyJTVBIYCXMLJTSK-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.99
Rot. Bonds3

About N-tert-butyl-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide

N-tert-butyl-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide (PubChem CID 110331576) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-tert-butyl-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
PubChem CID110331576
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-tert-butyl-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCc1cc(C)c2[nH]c(=O)c(CCC(=O)NC(C)(C)C)cc2c1
InChIInChI=1S/C18H24N2O2/c1-11-8-12(2)16-14(9-11)10-13(17(22)19-16)6-7-15(21)20-18(3,4)5/h8-10H,6-7H2,1-5H3,(H,19,22)(H,20,21)
InChIKeyJTVBIYCXMLJTSK-UHFFFAOYSA-N
XLogP2.99
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331121
N-cyclopentyl-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331527
3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(1-phenylethyl)propanamide
CID 110331547
3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 110331560
3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(pyridin-4-ylmethyl)propanamide
CID 110331556
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide
CID 69447803
6,8-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinolin-2-one
CID 110331533
N-(3-cyanophenyl)-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331601
4-[3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde
CID 110331540
3-(aminomethyl)-6,8-dimethyl-1H-quinolin-2-one
CID 6487599
N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]ethanesulfonamide
CID 110326306
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methylbutanamide
CID 110325256

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-tert-butyl-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide (CID 110331576) is N-tert-butyl-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-tert-butyl-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-tert-butyl-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide is Cc1cc(C)c2[nH]c(=O)c(CCC(=O)NC(C)(C)C)cc2c1.
What is the InChIKey of N-tert-butyl-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide?
The InChIKey is JTVBIYCXMLJTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-11-8-12(2)16-14(9-11)10-13(17(22)19-16)6-7-15(21)20-18(3,4)5/h8-10H,6-7H2,1-5H3,(H,19,22)(H,20,21).
What are the key properties of N-tert-butyl-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide?
N-tert-butyl-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide has a molecular weight of 300.40 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 110331576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).