N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)heptanamide

C18H26N2O2 — CID 18952407

IUPACN-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)heptanamide
SMILESCCCCCCC(=O)Nc1ccc2c(c1)NC(=O)CC2(C)C
InChIInChI=1S/C18H26N2O2/c1-4-5-6-7-8-16(21)19-13-9-10-14-15(11-13)20-17(22)12-18(14,2)3/h9-11H,4-8,12H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyNORCIHKYBBALLO-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.22
Rot. Bonds6

About N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)heptanamide

N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)heptanamide (PubChem CID 18952407) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)heptanamide.

Molecular Properties

Compound NameN-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)heptanamide
PubChem CID18952407
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)heptanamide
SMILESCCCCCCC(=O)Nc1ccc2c(c1)NC(=O)CC2(C)C
InChIInChI=1S/C18H26N2O2/c1-4-5-6-7-8-16(21)19-13-9-10-14-15(11-13)20-17(22)12-18(14,2)3/h9-11H,4-8,12H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyNORCIHKYBBALLO-UHFFFAOYSA-N
XLogP4.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)heptanamide?
The IUPAC name of N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)heptanamide (CID 18952407) is N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)heptanamide.
What is the SMILES notation for N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)heptanamide?
The canonical SMILES for N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)heptanamide is CCCCCCC(=O)Nc1ccc2c(c1)NC(=O)CC2(C)C.
What is the InChIKey of N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)heptanamide?
The InChIKey is NORCIHKYBBALLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-4-5-6-7-8-16(21)19-13-9-10-14-15(11-13)20-17(22)12-18(14,2)3/h9-11H,4-8,12H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)heptanamide?
N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)heptanamide has a molecular weight of 302.42 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)heptanamide is sourced from PubChem (CID 18952407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).