2-(4-methylazepan-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C17H23N3 — CID 63627036

IUPAC2-(4-methylazepan-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCC1CCCN(c2nc3c(cc2C#N)CCCC3)CC1
InChIInChI=1S/C17H23N3/c1-13-5-4-9-20(10-8-13)17-15(12-18)11-14-6-2-3-7-16(14)19-17/h11,13H,2-10H2,1H3
InChIKeyKPORWKOKCBCPLD-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.46
Rot. Bonds1

About 2-(4-methylazepan-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-(4-methylazepan-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 63627036) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(4-methylazepan-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(4-methylazepan-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID63627036
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-(4-methylazepan-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCC1CCCN(c2nc3c(cc2C#N)CCCC3)CC1
InChIInChI=1S/C17H23N3/c1-13-5-4-9-20(10-8-13)17-15(12-18)11-14-6-2-3-7-16(14)19-17/h11,13H,2-10H2,1H3
InChIKeyKPORWKOKCBCPLD-UHFFFAOYSA-N
XLogP3.46
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylazepan-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-(4-methylazepan-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 63627036) is 2-(4-methylazepan-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-(4-methylazepan-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-(4-methylazepan-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is CC1CCCN(c2nc3c(cc2C#N)CCCC3)CC1.
What is the InChIKey of 2-(4-methylazepan-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is KPORWKOKCBCPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13-5-4-9-20(10-8-13)17-15(12-18)11-14-6-2-3-7-16(14)19-17/h11,13H,2-10H2,1H3.
What are the key properties of 2-(4-methylazepan-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-(4-methylazepan-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 269.39 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylazepan-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 63627036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).