4-[2-[6-(piperazine-1-carbonyl)naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile

C27H25N5O — CID 146403436

IUPAC4-[2-[6-(piperazine-1-carbonyl)naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile
SMILESN#Cc1ccc2nccc(NCCc3ccc4cc(C(=O)N5CCNCC5)ccc4c3)c2c1
InChIInChI=1S/C27H25N5O/c28-18-20-2-6-25-24(16-20)26(8-10-31-25)30-9-7-19-1-3-22-17-23(5-4-21(22)15-19)27(33)32-13-11-29-12-14-32/h1-6,8,10,15-17,29H,7,9,11-14H2,(H,30,31)
InChIKeyPOAXQSRRJSJZQI-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.96
Rot. Bonds5

About 4-[2-[6-(piperazine-1-carbonyl)naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile

4-[2-[6-(piperazine-1-carbonyl)naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile (PubChem CID 146403436) has the molecular formula C27H25N5O and a molecular weight of 435.53 g/mol. Its IUPAC name is 4-[2-[6-(piperazine-1-carbonyl)naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile.

Molecular Properties

Compound Name4-[2-[6-(piperazine-1-carbonyl)naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile
PubChem CID146403436
Molecular FormulaC27H25N5O
Molecular Weight435.53 g/mol
Exact Mass435.21
IUPAC Name4-[2-[6-(piperazine-1-carbonyl)naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile
SMILESN#Cc1ccc2nccc(NCCc3ccc4cc(C(=O)N5CCNCC5)ccc4c3)c2c1
InChIInChI=1S/C27H25N5O/c28-18-20-2-6-25-24(16-20)26(8-10-31-25)30-9-7-19-1-3-22-17-23(5-4-21(22)15-19)27(33)32-13-11-29-12-14-32/h1-6,8,10,15-17,29H,7,9,11-14H2,(H,30,31)
InChIKeyPOAXQSRRJSJZQI-UHFFFAOYSA-N
XLogP3.96
TPSA81.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-(piperazine-1-carbonyl)naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile?
The IUPAC name of 4-[2-[6-(piperazine-1-carbonyl)naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile (CID 146403436) is 4-[2-[6-(piperazine-1-carbonyl)naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile.
What is the SMILES notation for 4-[2-[6-(piperazine-1-carbonyl)naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile?
The canonical SMILES for 4-[2-[6-(piperazine-1-carbonyl)naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile is N#Cc1ccc2nccc(NCCc3ccc4cc(C(=O)N5CCNCC5)ccc4c3)c2c1.
What is the InChIKey of 4-[2-[6-(piperazine-1-carbonyl)naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile?
The InChIKey is POAXQSRRJSJZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O/c28-18-20-2-6-25-24(16-20)26(8-10-31-25)30-9-7-19-1-3-22-17-23(5-4-21(22)15-19)27(33)32-13-11-29-12-14-32/h1-6,8,10,15-17,29H,7,9,11-14H2,(H,30,31).
What are the key properties of 4-[2-[6-(piperazine-1-carbonyl)naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile?
4-[2-[6-(piperazine-1-carbonyl)naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile has a molecular weight of 435.53 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-(piperazine-1-carbonyl)naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile is sourced from PubChem (CID 146403436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).