2-methyl-2-phenyl-N-quinolin-8-ylheptanamide

C23H26N2O — CID 102129340

IUPAC2-methyl-2-phenyl-N-quinolin-8-ylheptanamide
SMILESCCCCCC(C)(C(=O)Nc1cccc2cccnc12)c1ccccc1
InChIInChI=1S/C23H26N2O/c1-3-4-8-16-23(2,19-13-6-5-7-14-19)22(26)25-20-15-9-11-18-12-10-17-24-21(18)20/h5-7,9-15,17H,3-4,8,16H2,1-2H3,(H,25,26)
InChIKeyCVSZSPDVPHMTHB-UHFFFAOYSA-N
MW346.47 g/mol
LogP5.71
Rot. Bonds7

About 2-methyl-2-phenyl-N-quinolin-8-ylheptanamide

2-methyl-2-phenyl-N-quinolin-8-ylheptanamide (PubChem CID 102129340) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-methyl-2-phenyl-N-quinolin-8-ylheptanamide.

Molecular Properties

Compound Name2-methyl-2-phenyl-N-quinolin-8-ylheptanamide
PubChem CID102129340
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name2-methyl-2-phenyl-N-quinolin-8-ylheptanamide
SMILESCCCCCC(C)(C(=O)Nc1cccc2cccnc12)c1ccccc1
InChIInChI=1S/C23H26N2O/c1-3-4-8-16-23(2,19-13-6-5-7-14-19)22(26)25-20-15-9-11-18-12-10-17-24-21(18)20/h5-7,9-15,17H,3-4,8,16H2,1-2H3,(H,25,26)
InChIKeyCVSZSPDVPHMTHB-UHFFFAOYSA-N
XLogP5.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dibutyl-N-pyridin-2-yl-N'-quinolin-8-ylpropanediamide
CID 10093491
2,2-dimethyl-5-phenyl-N-quinolin-8-ylpentanamide
CID 132571622
N-quinolin-8-ylundecanamide
CID 3567928
2,2-dimethyl-N-quinolin-8-ylpropanamide;molecular hydrogen
CID 143593011
2-ethyl-2,3-dimethyl-N-quinolin-8-ylbutanamide
CID 132522019
2-ethyl-N-quinolin-8-ylundecanamide
CID 72712401
2,2-dimethyl-N-quinolin-8-ylpent-4-enamide
CID 170781883
N-heptylquinolin-8-amine
CID 43130175
2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-quinolin-8-ylpropanediamide
CID 108968465
[2,2-dimethyl-3-oxo-3-(quinolin-8-ylamino)propyl] acetate
CID 177454092
1-propyl-3-quinolin-8-ylurea
CID 13078451
2,2-dimethyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide
CID 17424107

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenyl-N-quinolin-8-ylheptanamide?
The IUPAC name of 2-methyl-2-phenyl-N-quinolin-8-ylheptanamide (CID 102129340) is 2-methyl-2-phenyl-N-quinolin-8-ylheptanamide.
What is the SMILES notation for 2-methyl-2-phenyl-N-quinolin-8-ylheptanamide?
The canonical SMILES for 2-methyl-2-phenyl-N-quinolin-8-ylheptanamide is CCCCCC(C)(C(=O)Nc1cccc2cccnc12)c1ccccc1.
What is the InChIKey of 2-methyl-2-phenyl-N-quinolin-8-ylheptanamide?
The InChIKey is CVSZSPDVPHMTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-3-4-8-16-23(2,19-13-6-5-7-14-19)22(26)25-20-15-9-11-18-12-10-17-24-21(18)20/h5-7,9-15,17H,3-4,8,16H2,1-2H3,(H,25,26).
What are the key properties of 2-methyl-2-phenyl-N-quinolin-8-ylheptanamide?
2-methyl-2-phenyl-N-quinolin-8-ylheptanamide has a molecular weight of 346.47 g/mol, XLogP of 5.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyl-N-quinolin-8-ylheptanamide is sourced from PubChem (CID 102129340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).