N-(3-cyanopentan-3-yl)quinoline-8-carboxamide

C16H17N3O — CID 62849554

IUPACN-(3-cyanopentan-3-yl)quinoline-8-carboxamide
SMILESCCC(C#N)(CC)NC(=O)c1cccc2cccnc12
InChIInChI=1S/C16H17N3O/c1-3-16(4-2,11-17)19-15(20)13-9-5-7-12-8-6-10-18-14(12)13/h5-10H,3-4H2,1-2H3,(H,19,20)
InChIKeyXTYDUINZYCPAIT-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.05
Rot. Bonds4

About N-(3-cyanopentan-3-yl)quinoline-8-carboxamide

N-(3-cyanopentan-3-yl)quinoline-8-carboxamide (PubChem CID 62849554) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(3-cyanopentan-3-yl)quinoline-8-carboxamide.

Molecular Properties

Compound NameN-(3-cyanopentan-3-yl)quinoline-8-carboxamide
PubChem CID62849554
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-(3-cyanopentan-3-yl)quinoline-8-carboxamide
SMILESCCC(C#N)(CC)NC(=O)c1cccc2cccnc12
InChIInChI=1S/C16H17N3O/c1-3-16(4-2,11-17)19-15(20)13-9-5-7-12-8-6-10-18-14(12)13/h5-10H,3-4H2,1-2H3,(H,19,20)
InChIKeyXTYDUINZYCPAIT-UHFFFAOYSA-N
XLogP3.05
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanobutan-2-yl)quinoline-8-carboxamide
CID 62849552
N-(1-amino-3-methylpentan-3-yl)quinoline-8-carboxamide
CID 106164386
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)quinoline-8-carboxamide
CID 76975271
N-(2-amino-2-ethylbutyl)quinoline-8-carboxamide;dihydrochloride
CID 119641919
N-[2-ethyl-2-(hydroxymethyl)butyl]quinoline-8-carboxamide
CID 103843875
N-(2-hydroxy-2-methylpropyl)quinoline-8-carboxamide
CID 65109650
N-(3-cyanopentan-3-yl)-3-hydroxypyridine-4-carboxamide
CID 81445991
N-pyrimidin-2-ylquinoline-8-carboxamide
CID 175780986
2-(diethylamino)-2-methyl-1-quinolin-8-ylbutan-1-one
CID 81196407
N-(3-acetamidophenyl)quinoline-8-carboxamide
CID 9206616
2-(aminomethyl)-2-ethyl-1-quinolin-8-ylbutan-1-one
CID 116603879
3-(quinoline-8-carbonyl)pentanenitrile
CID 63970339

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopentan-3-yl)quinoline-8-carboxamide?
The IUPAC name of N-(3-cyanopentan-3-yl)quinoline-8-carboxamide (CID 62849554) is N-(3-cyanopentan-3-yl)quinoline-8-carboxamide.
What is the SMILES notation for N-(3-cyanopentan-3-yl)quinoline-8-carboxamide?
The canonical SMILES for N-(3-cyanopentan-3-yl)quinoline-8-carboxamide is CCC(C#N)(CC)NC(=O)c1cccc2cccnc12.
What is the InChIKey of N-(3-cyanopentan-3-yl)quinoline-8-carboxamide?
The InChIKey is XTYDUINZYCPAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-3-16(4-2,11-17)19-15(20)13-9-5-7-12-8-6-10-18-14(12)13/h5-10H,3-4H2,1-2H3,(H,19,20).
What are the key properties of N-(3-cyanopentan-3-yl)quinoline-8-carboxamide?
N-(3-cyanopentan-3-yl)quinoline-8-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopentan-3-yl)quinoline-8-carboxamide is sourced from PubChem (CID 62849554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).