N-heptan-2-ylquinoline-2-carboxamide

C17H22N2O — CID 46571103

IUPACN-heptan-2-ylquinoline-2-carboxamide
SMILESCCCCCC(C)NC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C17H22N2O/c1-3-4-5-8-13(2)18-17(20)16-12-11-14-9-6-7-10-15(14)19-16/h6-7,9-13H,3-5,8H2,1-2H3,(H,18,20)
InChIKeyIVTCUXOXPPAKAW-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.93
Rot. Bonds6

About N-heptan-2-ylquinoline-2-carboxamide

N-heptan-2-ylquinoline-2-carboxamide (PubChem CID 46571103) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-heptan-2-ylquinoline-2-carboxamide.

Molecular Properties

Compound NameN-heptan-2-ylquinoline-2-carboxamide
PubChem CID46571103
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-heptan-2-ylquinoline-2-carboxamide
SMILESCCCCCC(C)NC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C17H22N2O/c1-3-4-5-8-13(2)18-17(20)16-12-11-14-9-6-7-10-15(14)19-16/h6-7,9-13H,3-5,8H2,1-2H3,(H,18,20)
InChIKeyIVTCUXOXPPAKAW-UHFFFAOYSA-N
XLogP3.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.93
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

N-(5-methylhexan-2-yl)quinoline-2-carboxamide
CID 24554913
(2S)-2-(quinoline-2-carbonylamino)pentanoic acid
CID 107564261
3-methyl-2-(quinoline-2-carbonylamino)pentanoic acid
CID 16795877
5-bromo-N-heptan-2-ylpyridine-2-carboxamide
CID 55153825
3-methyl-1-quinolin-2-ylhexan-1-one
CID 63222374
N-[3-(dipropylamino)-1-phenylpropyl]quinoline-2-carboxamide
CID 21297679
N-(1-amino-4-methylpentan-2-yl)quinoline-2-carboxamide
CID 63754723
N-[(2S)-heptan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 51969987
2-(ethylamino)-1-quinolin-2-ylpropan-1-one
CID 15501222
N-[(1S)-1-pyridin-4-ylethyl]quinoline-2-carboxamide
CID 30479872
N-(1-chloro-4,4-dimethylpentan-3-yl)quinoline-2-carboxamide
CID 106355670
N'-butanoylquinoline-2-carbohydrazide
CID 29266790

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-ylquinoline-2-carboxamide?
The IUPAC name of N-heptan-2-ylquinoline-2-carboxamide (CID 46571103) is N-heptan-2-ylquinoline-2-carboxamide.
What is the SMILES notation for N-heptan-2-ylquinoline-2-carboxamide?
The canonical SMILES for N-heptan-2-ylquinoline-2-carboxamide is CCCCCC(C)NC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-heptan-2-ylquinoline-2-carboxamide?
The InChIKey is IVTCUXOXPPAKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-4-5-8-13(2)18-17(20)16-12-11-14-9-6-7-10-15(14)19-16/h6-7,9-13H,3-5,8H2,1-2H3,(H,18,20).
What are the key properties of N-heptan-2-ylquinoline-2-carboxamide?
N-heptan-2-ylquinoline-2-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-ylquinoline-2-carboxamide is sourced from PubChem (CID 46571103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).