N-(1-tert-butyl-4-cyanopyrrol-2-yl)-5,6,7,8-tetrahydroquinoline-8-carboxamide

C19H22N4O — CID 119052717

IUPACN-(1-tert-butyl-4-cyanopyrrol-2-yl)-5,6,7,8-tetrahydroquinoline-8-carboxamide
SMILESCC(C)(C)n1cc(C#N)cc1NC(=O)C1CCCc2cccnc21
InChIInChI=1S/C19H22N4O/c1-19(2,3)23-12-13(11-20)10-16(23)22-18(24)15-8-4-6-14-7-5-9-21-17(14)15/h5,7,9-10,12,15H,4,6,8H2,1-3H3,(H,22,24)
InChIKeyRDEPGSRIIYFYFI-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.57
Rot. Bonds2

About N-(1-tert-butyl-4-cyanopyrrol-2-yl)-5,6,7,8-tetrahydroquinoline-8-carboxamide

N-(1-tert-butyl-4-cyanopyrrol-2-yl)-5,6,7,8-tetrahydroquinoline-8-carboxamide (PubChem CID 119052717) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(1-tert-butyl-4-cyanopyrrol-2-yl)-5,6,7,8-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound NameN-(1-tert-butyl-4-cyanopyrrol-2-yl)-5,6,7,8-tetrahydroquinoline-8-carboxamide
PubChem CID119052717
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-(1-tert-butyl-4-cyanopyrrol-2-yl)-5,6,7,8-tetrahydroquinoline-8-carboxamide
SMILESCC(C)(C)n1cc(C#N)cc1NC(=O)C1CCCc2cccnc21
InChIInChI=1S/C19H22N4O/c1-19(2,3)23-12-13(11-20)10-16(23)22-18(24)15-8-4-6-14-7-5-9-21-17(14)15/h5,7,9-10,12,15H,4,6,8H2,1-3H3,(H,22,24)
InChIKeyRDEPGSRIIYFYFI-UHFFFAOYSA-N
XLogP3.57
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-tert-butyl-4-cyanopyrrol-2-yl)-5,6,7,8-tetrahydroquinoline-8-carboxamide with MolForge

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Related Compounds

(8R)-N-[(2R)-2-cyano-3,3-dimethylbutan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 124851984
(8S)-N-[5-methyl-2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 100642582
(8S)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 100659560
N-cyclobutyloxy-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 154862038
2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
CID 130855424
4-(methylamino)-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 116555632
pyrrolidin-3-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 116568328
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 154754689
methyl 3-[[[(8R)-5,6,7,8-tetrahydroquinoline-8-carbonyl]amino]methyl]benzoate
CID 99842190
3-amino-2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 116612266
N-(1-tert-butyl-4-cyanopyrrol-2-yl)-2,3-dimethylbenzamide
CID 154739958
N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 126790211

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-4-cyanopyrrol-2-yl)-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The IUPAC name of N-(1-tert-butyl-4-cyanopyrrol-2-yl)-5,6,7,8-tetrahydroquinoline-8-carboxamide (CID 119052717) is N-(1-tert-butyl-4-cyanopyrrol-2-yl)-5,6,7,8-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for N-(1-tert-butyl-4-cyanopyrrol-2-yl)-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for N-(1-tert-butyl-4-cyanopyrrol-2-yl)-5,6,7,8-tetrahydroquinoline-8-carboxamide is CC(C)(C)n1cc(C#N)cc1NC(=O)C1CCCc2cccnc21.
What is the InChIKey of N-(1-tert-butyl-4-cyanopyrrol-2-yl)-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The InChIKey is RDEPGSRIIYFYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-19(2,3)23-12-13(11-20)10-16(23)22-18(24)15-8-4-6-14-7-5-9-21-17(14)15/h5,7,9-10,12,15H,4,6,8H2,1-3H3,(H,22,24).
What are the key properties of N-(1-tert-butyl-4-cyanopyrrol-2-yl)-5,6,7,8-tetrahydroquinoline-8-carboxamide?
N-(1-tert-butyl-4-cyanopyrrol-2-yl)-5,6,7,8-tetrahydroquinoline-8-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-4-cyanopyrrol-2-yl)-5,6,7,8-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 119052717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).