1-(4-tert-butyl-2-pyridinyl)-7-hydroxy-3,4-dihydro-2H-quinoline-5-carbonitrile

C19H21N3O — CID 168844728

IUPAC1-(4-tert-butyl-2-pyridinyl)-7-hydroxy-3,4-dihydro-2H-quinoline-5-carbonitrile
SMILESCC(C)(C)c1ccnc(N2CCCc3c(C#N)cc(O)cc32)c1
InChIInChI=1S/C19H21N3O/c1-19(2,3)14-6-7-21-18(10-14)22-8-4-5-16-13(12-20)9-15(23)11-17(16)22/h6-7,9-11,23H,4-5,8H2,1-3H3
InChIKeyUHXKFDWDTIOEPP-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.04
Rot. Bonds1

About 1-(4-tert-butyl-2-pyridinyl)-7-hydroxy-3,4-dihydro-2H-quinoline-5-carbonitrile

1-(4-tert-butyl-2-pyridinyl)-7-hydroxy-3,4-dihydro-2H-quinoline-5-carbonitrile (PubChem CID 168844728) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-(4-tert-butyl-2-pyridinyl)-7-hydroxy-3,4-dihydro-2H-quinoline-5-carbonitrile.

Molecular Properties

Compound Name1-(4-tert-butyl-2-pyridinyl)-7-hydroxy-3,4-dihydro-2H-quinoline-5-carbonitrile
PubChem CID168844728
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name1-(4-tert-butyl-2-pyridinyl)-7-hydroxy-3,4-dihydro-2H-quinoline-5-carbonitrile
SMILESCC(C)(C)c1ccnc(N2CCCc3c(C#N)cc(O)cc32)c1
InChIInChI=1S/C19H21N3O/c1-19(2,3)14-6-7-21-18(10-14)22-8-4-5-16-13(12-20)9-15(23)11-17(16)22/h6-7,9-11,23H,4-5,8H2,1-3H3
InChIKeyUHXKFDWDTIOEPP-UHFFFAOYSA-N
XLogP4.04
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-2-pyridinyl)-7-hydroxy-3,4-dihydro-2H-quinoline-5-carbonitrile?
The IUPAC name of 1-(4-tert-butyl-2-pyridinyl)-7-hydroxy-3,4-dihydro-2H-quinoline-5-carbonitrile (CID 168844728) is 1-(4-tert-butyl-2-pyridinyl)-7-hydroxy-3,4-dihydro-2H-quinoline-5-carbonitrile.
What is the SMILES notation for 1-(4-tert-butyl-2-pyridinyl)-7-hydroxy-3,4-dihydro-2H-quinoline-5-carbonitrile?
The canonical SMILES for 1-(4-tert-butyl-2-pyridinyl)-7-hydroxy-3,4-dihydro-2H-quinoline-5-carbonitrile is CC(C)(C)c1ccnc(N2CCCc3c(C#N)cc(O)cc32)c1.
What is the InChIKey of 1-(4-tert-butyl-2-pyridinyl)-7-hydroxy-3,4-dihydro-2H-quinoline-5-carbonitrile?
The InChIKey is UHXKFDWDTIOEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-19(2,3)14-6-7-21-18(10-14)22-8-4-5-16-13(12-20)9-15(23)11-17(16)22/h6-7,9-11,23H,4-5,8H2,1-3H3.
What are the key properties of 1-(4-tert-butyl-2-pyridinyl)-7-hydroxy-3,4-dihydro-2H-quinoline-5-carbonitrile?
1-(4-tert-butyl-2-pyridinyl)-7-hydroxy-3,4-dihydro-2H-quinoline-5-carbonitrile has a molecular weight of 307.40 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-2-pyridinyl)-7-hydroxy-3,4-dihydro-2H-quinoline-5-carbonitrile is sourced from PubChem (CID 168844728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).