4-[5-(diethylamino)pentan-2-ylamino]quinoline-7-carbonitrile

C19H26N4 — CID 44532012

IUPAC4-[5-(diethylamino)pentan-2-ylamino]quinoline-7-carbonitrile
SMILESCCN(CC)CCCC(C)Nc1ccnc2cc(C#N)ccc12
InChIInChI=1S/C19H26N4/c1-4-23(5-2)12-6-7-15(3)22-18-10-11-21-19-13-16(14-20)8-9-17(18)19/h8-11,13,15H,4-7,12H2,1-3H3,(H,21,22)
InChIKeyTZECBTPRXPPTDB-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.03
Rot. Bonds8

About 4-[5-(diethylamino)pentan-2-ylamino]quinoline-7-carbonitrile

4-[5-(diethylamino)pentan-2-ylamino]quinoline-7-carbonitrile (PubChem CID 44532012) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-[5-(diethylamino)pentan-2-ylamino]quinoline-7-carbonitrile.

Molecular Properties

Compound Name4-[5-(diethylamino)pentan-2-ylamino]quinoline-7-carbonitrile
PubChem CID44532012
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name4-[5-(diethylamino)pentan-2-ylamino]quinoline-7-carbonitrile
SMILESCCN(CC)CCCC(C)Nc1ccnc2cc(C#N)ccc12
InChIInChI=1S/C19H26N4/c1-4-23(5-2)12-6-7-15(3)22-18-10-11-21-19-13-16(14-20)8-9-17(18)19/h8-11,13,15H,4-7,12H2,1-3H3,(H,21,22)
InChIKeyTZECBTPRXPPTDB-UHFFFAOYSA-N
XLogP4.03
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(diethylamino)pentan-2-ylamino]quinoline-7-carbonitrile?
The IUPAC name of 4-[5-(diethylamino)pentan-2-ylamino]quinoline-7-carbonitrile (CID 44532012) is 4-[5-(diethylamino)pentan-2-ylamino]quinoline-7-carbonitrile.
What is the SMILES notation for 4-[5-(diethylamino)pentan-2-ylamino]quinoline-7-carbonitrile?
The canonical SMILES for 4-[5-(diethylamino)pentan-2-ylamino]quinoline-7-carbonitrile is CCN(CC)CCCC(C)Nc1ccnc2cc(C#N)ccc12.
What is the InChIKey of 4-[5-(diethylamino)pentan-2-ylamino]quinoline-7-carbonitrile?
The InChIKey is TZECBTPRXPPTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-4-23(5-2)12-6-7-15(3)22-18-10-11-21-19-13-16(14-20)8-9-17(18)19/h8-11,13,15H,4-7,12H2,1-3H3,(H,21,22).
What are the key properties of 4-[5-(diethylamino)pentan-2-ylamino]quinoline-7-carbonitrile?
4-[5-(diethylamino)pentan-2-ylamino]quinoline-7-carbonitrile has a molecular weight of 310.44 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(diethylamino)pentan-2-ylamino]quinoline-7-carbonitrile is sourced from PubChem (CID 44532012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).