1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-5-carboxamide

C15H20N2O2 — CID 86998468

IUPAC1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESCC(C)CC(=O)N1CCCc2c(C(N)=O)cccc21
InChIInChI=1S/C15H20N2O2/c1-10(2)9-14(18)17-8-4-6-11-12(15(16)19)5-3-7-13(11)17/h3,5,7,10H,4,6,8-9H2,1-2H3,(H2,16,19)
InChIKeyHPVQKJXQLCSZGY-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.11
Rot. Bonds3

About 1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-5-carboxamide

1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-5-carboxamide (PubChem CID 86998468) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-5-carboxamide.

Molecular Properties

Compound Name1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-5-carboxamide
PubChem CID86998468
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESCC(C)CC(=O)N1CCCc2c(C(N)=O)cccc21
InChIInChI=1S/C15H20N2O2/c1-10(2)9-14(18)17-8-4-6-11-12(15(16)19)5-3-7-13(11)17/h3,5,7,10H,4,6,8-9H2,1-2H3,(H2,16,19)
InChIKeyHPVQKJXQLCSZGY-UHFFFAOYSA-N
XLogP2.11
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-5-carboxamide?
The IUPAC name of 1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-5-carboxamide (CID 86998468) is 1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-5-carboxamide.
What is the SMILES notation for 1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-5-carboxamide?
The canonical SMILES for 1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-5-carboxamide is CC(C)CC(=O)N1CCCc2c(C(N)=O)cccc21.
What is the InChIKey of 1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-5-carboxamide?
The InChIKey is HPVQKJXQLCSZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(2)9-14(18)17-8-4-6-11-12(15(16)19)5-3-7-13(11)17/h3,5,7,10H,4,6,8-9H2,1-2H3,(H2,16,19).
What are the key properties of 1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-5-carboxamide?
1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-5-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-5-carboxamide is sourced from PubChem (CID 86998468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).