2-[(1S)-1-amino-3-methylbutyl]-6-pyridin-4-ylquinoline-4-carbonitrile

C20H20N4 — CID 118279767

IUPAC2-[(1S)-1-amino-3-methylbutyl]-6-pyridin-4-ylquinoline-4-carbonitrile
SMILESCC(C)C[C@H](N)c1cc(C#N)c2cc(-c3ccncc3)ccc2n1
InChIInChI=1S/C20H20N4/c1-13(2)9-18(22)20-11-16(12-21)17-10-15(3-4-19(17)24-20)14-5-7-23-8-6-14/h3-8,10-11,13,18H,9,22H2,1-2H3/t18-/m0/s1
InChIKeyFMNWOBLAZAYOSG-SFHVURJKSA-N
MW316.41 g/mol
LogP4.21
Rot. Bonds4

About 2-[(1S)-1-amino-3-methylbutyl]-6-pyridin-4-ylquinoline-4-carbonitrile

2-[(1S)-1-amino-3-methylbutyl]-6-pyridin-4-ylquinoline-4-carbonitrile (PubChem CID 118279767) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-[(1S)-1-amino-3-methylbutyl]-6-pyridin-4-ylquinoline-4-carbonitrile.

Molecular Properties

Compound Name2-[(1S)-1-amino-3-methylbutyl]-6-pyridin-4-ylquinoline-4-carbonitrile
PubChem CID118279767
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name2-[(1S)-1-amino-3-methylbutyl]-6-pyridin-4-ylquinoline-4-carbonitrile
SMILESCC(C)C[C@H](N)c1cc(C#N)c2cc(-c3ccncc3)ccc2n1
InChIInChI=1S/C20H20N4/c1-13(2)9-18(22)20-11-16(12-21)17-10-15(3-4-19(17)24-20)14-5-7-23-8-6-14/h3-8,10-11,13,18H,9,22H2,1-2H3/t18-/m0/s1
InChIKeyFMNWOBLAZAYOSG-SFHVURJKSA-N
XLogP4.21
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-amino-3-methylbutyl]-6-pyridin-4-ylquinoline-4-carbonitrile?
The IUPAC name of 2-[(1S)-1-amino-3-methylbutyl]-6-pyridin-4-ylquinoline-4-carbonitrile (CID 118279767) is 2-[(1S)-1-amino-3-methylbutyl]-6-pyridin-4-ylquinoline-4-carbonitrile.
What is the SMILES notation for 2-[(1S)-1-amino-3-methylbutyl]-6-pyridin-4-ylquinoline-4-carbonitrile?
The canonical SMILES for 2-[(1S)-1-amino-3-methylbutyl]-6-pyridin-4-ylquinoline-4-carbonitrile is CC(C)C[C@H](N)c1cc(C#N)c2cc(-c3ccncc3)ccc2n1.
What is the InChIKey of 2-[(1S)-1-amino-3-methylbutyl]-6-pyridin-4-ylquinoline-4-carbonitrile?
The InChIKey is FMNWOBLAZAYOSG-SFHVURJKSA-N. The full InChI is InChI=1S/C20H20N4/c1-13(2)9-18(22)20-11-16(12-21)17-10-15(3-4-19(17)24-20)14-5-7-23-8-6-14/h3-8,10-11,13,18H,9,22H2,1-2H3/t18-/m0/s1.
What are the key properties of 2-[(1S)-1-amino-3-methylbutyl]-6-pyridin-4-ylquinoline-4-carbonitrile?
2-[(1S)-1-amino-3-methylbutyl]-6-pyridin-4-ylquinoline-4-carbonitrile has a molecular weight of 316.41 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-amino-3-methylbutyl]-6-pyridin-4-ylquinoline-4-carbonitrile is sourced from PubChem (CID 118279767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).