N-(cyanomethyl)-N,2,6,8-tetramethylquinoline-4-carboxamide

C16H17N3O — CID 53015626

IUPACN-(cyanomethyl)-N,2,6,8-tetramethylquinoline-4-carboxamide
SMILESCc1cc(C)c2nc(C)cc(C(=O)N(C)CC#N)c2c1
InChIInChI=1S/C16H17N3O/c1-10-7-11(2)15-13(8-10)14(9-12(3)18-15)16(20)19(4)6-5-17/h7-9H,6H2,1-4H3
InChIKeySROUJPWUSXEIJR-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.76
Rot. Bonds2

About N-(cyanomethyl)-N,2,6,8-tetramethylquinoline-4-carboxamide

N-(cyanomethyl)-N,2,6,8-tetramethylquinoline-4-carboxamide (PubChem CID 53015626) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(cyanomethyl)-N,2,6,8-tetramethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N,2,6,8-tetramethylquinoline-4-carboxamide
PubChem CID53015626
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-(cyanomethyl)-N,2,6,8-tetramethylquinoline-4-carboxamide
SMILESCc1cc(C)c2nc(C)cc(C(=O)N(C)CC#N)c2c1
InChIInChI=1S/C16H17N3O/c1-10-7-11(2)15-13(8-10)14(9-12(3)18-15)16(20)19(4)6-5-17/h7-9H,6H2,1-4H3
InChIKeySROUJPWUSXEIJR-UHFFFAOYSA-N
XLogP2.76
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-(Dimethylamino)ethyl)acridine-4-carboxamide
CID 107805
SB 222200
CID 6604009
9-amino-N-(3-(dimethylamino)propyl)acridine-4-carboxamide
CID 150238
2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 2849628
N-Phenyl-1,2,3,4-tetrahydro-9-acridinecarboxamide
CID 775717
2-Methylquinoline-4-carboxamide
CID 85122
N-((4-dimethylamino)butyl)-9-aminoacridine-4-carboxamide
CID 124660
2-Methylquinoline-8-carboxamide
CID 21195867
(R)-2,6-dimethyl-5-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)nicotinamide
CID 25156752
N-[(2-methylquinolin-4-yl)methyl]-2-phenylacetamide
CID 1504523
Cambridge id 7007502
CID 753478
2-ethyl-3-methyl-N-(phenylmethyl)quinoline-4-carboxamide
CID 855960

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N,2,6,8-tetramethylquinoline-4-carboxamide?
The IUPAC name of N-(cyanomethyl)-N,2,6,8-tetramethylquinoline-4-carboxamide (CID 53015626) is N-(cyanomethyl)-N,2,6,8-tetramethylquinoline-4-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-N,2,6,8-tetramethylquinoline-4-carboxamide?
The canonical SMILES for N-(cyanomethyl)-N,2,6,8-tetramethylquinoline-4-carboxamide is Cc1cc(C)c2nc(C)cc(C(=O)N(C)CC#N)c2c1.
What is the InChIKey of N-(cyanomethyl)-N,2,6,8-tetramethylquinoline-4-carboxamide?
The InChIKey is SROUJPWUSXEIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-10-7-11(2)15-13(8-10)14(9-12(3)18-15)16(20)19(4)6-5-17/h7-9H,6H2,1-4H3.
What are the key properties of N-(cyanomethyl)-N,2,6,8-tetramethylquinoline-4-carboxamide?
N-(cyanomethyl)-N,2,6,8-tetramethylquinoline-4-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N,2,6,8-tetramethylquinoline-4-carboxamide is sourced from PubChem (CID 53015626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).