2-(3-cyanophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carboxamide

C19H19N3O — CID 70495915

IUPAC2-(3-cyanophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carboxamide
SMILESCC1(C)CC(c2cccc(C#N)c2)Nc2ccc(C(N)=O)cc21
InChIInChI=1S/C19H19N3O/c1-19(2)10-17(13-5-3-4-12(8-13)11-20)22-16-7-6-14(18(21)23)9-15(16)19/h3-9,17,22H,10H2,1-2H3,(H2,21,23)
InChIKeyLRESYOCXCQHIDW-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.49
Rot. Bonds2

About 2-(3-cyanophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carboxamide

2-(3-cyanophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carboxamide (PubChem CID 70495915) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-(3-cyanophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound Name2-(3-cyanophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carboxamide
PubChem CID70495915
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name2-(3-cyanophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carboxamide
SMILESCC1(C)CC(c2cccc(C#N)c2)Nc2ccc(C(N)=O)cc21
InChIInChI=1S/C19H19N3O/c1-19(2)10-17(13-5-3-4-12(8-13)11-20)22-16-7-6-14(18(21)23)9-15(16)19/h3-9,17,22H,10H2,1-2H3,(H2,21,23)
InChIKeyLRESYOCXCQHIDW-UHFFFAOYSA-N
XLogP3.49
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of 2-(3-cyanophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carboxamide (CID 70495915) is 2-(3-cyanophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for 2-(3-cyanophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for 2-(3-cyanophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carboxamide is CC1(C)CC(c2cccc(C#N)c2)Nc2ccc(C(N)=O)cc21.
What is the InChIKey of 2-(3-cyanophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is LRESYOCXCQHIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-19(2)10-17(13-5-3-4-12(8-13)11-20)22-16-7-6-14(18(21)23)9-15(16)19/h3-9,17,22H,10H2,1-2H3,(H2,21,23).
What are the key properties of 2-(3-cyanophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carboxamide?
2-(3-cyanophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 70495915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).