4-[2-[6-[4-(3-aminopropyl)piperazine-1-carbonyl]naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile

C30H32N6O — CID 157464173

IUPAC4-[2-[6-[4-(3-aminopropyl)piperazine-1-carbonyl]naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile
SMILESN#Cc1ccc2nccc(NCCc3ccc4cc(C(=O)N5CCN(CCCN)CC5)ccc4c3)c2c1
InChIInChI=1S/C30H32N6O/c31-10-1-13-35-14-16-36(17-15-35)30(37)26-6-5-24-18-22(2-4-25(24)20-26)8-11-33-29-9-12-34-28-7-3-23(21-32)19-27(28)29/h2-7,9,12,18-20H,1,8,10-11,13-17,31H2,(H,33,34)
InChIKeyBUGVQNZMIPEMTK-UHFFFAOYSA-N
MW492.63 g/mol
LogP4.02
Rot. Bonds8

About 4-[2-[6-[4-(3-aminopropyl)piperazine-1-carbonyl]naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile

4-[2-[6-[4-(3-aminopropyl)piperazine-1-carbonyl]naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile (PubChem CID 157464173) has the molecular formula C30H32N6O and a molecular weight of 492.63 g/mol. Its IUPAC name is 4-[2-[6-[4-(3-aminopropyl)piperazine-1-carbonyl]naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile.

Molecular Properties

Compound Name4-[2-[6-[4-(3-aminopropyl)piperazine-1-carbonyl]naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile
PubChem CID157464173
Molecular FormulaC30H32N6O
Molecular Weight492.63 g/mol
Exact Mass492.26
IUPAC Name4-[2-[6-[4-(3-aminopropyl)piperazine-1-carbonyl]naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile
SMILESN#Cc1ccc2nccc(NCCc3ccc4cc(C(=O)N5CCN(CCCN)CC5)ccc4c3)c2c1
InChIInChI=1S/C30H32N6O/c31-10-1-13-35-14-16-36(17-15-35)30(37)26-6-5-24-18-22(2-4-25(24)20-26)8-11-33-29-9-12-34-28-7-3-23(21-32)19-27(28)29/h2-7,9,12,18-20H,1,8,10-11,13-17,31H2,(H,33,34)
InChIKeyBUGVQNZMIPEMTK-UHFFFAOYSA-N
XLogP4.02
TPSA98.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.63
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-[4-(3-aminopropyl)piperazine-1-carbonyl]naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile?
The IUPAC name of 4-[2-[6-[4-(3-aminopropyl)piperazine-1-carbonyl]naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile (CID 157464173) is 4-[2-[6-[4-(3-aminopropyl)piperazine-1-carbonyl]naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile.
What is the SMILES notation for 4-[2-[6-[4-(3-aminopropyl)piperazine-1-carbonyl]naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile?
The canonical SMILES for 4-[2-[6-[4-(3-aminopropyl)piperazine-1-carbonyl]naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile is N#Cc1ccc2nccc(NCCc3ccc4cc(C(=O)N5CCN(CCCN)CC5)ccc4c3)c2c1.
What is the InChIKey of 4-[2-[6-[4-(3-aminopropyl)piperazine-1-carbonyl]naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile?
The InChIKey is BUGVQNZMIPEMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O/c31-10-1-13-35-14-16-36(17-15-35)30(37)26-6-5-24-18-22(2-4-25(24)20-26)8-11-33-29-9-12-34-28-7-3-23(21-32)19-27(28)29/h2-7,9,12,18-20H,1,8,10-11,13-17,31H2,(H,33,34).
What are the key properties of 4-[2-[6-[4-(3-aminopropyl)piperazine-1-carbonyl]naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile?
4-[2-[6-[4-(3-aminopropyl)piperazine-1-carbonyl]naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile has a molecular weight of 492.63 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-[4-(3-aminopropyl)piperazine-1-carbonyl]naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile is sourced from PubChem (CID 157464173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).