2-[4-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-propan-2-ylquinoline

C27H31N3O2 — CID 91498255

IUPAC2-[4-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-propan-2-ylquinoline
SMILESCOc1ccc2occ(CCN3CCN(c4ccc5cc(C(C)C)ccc5n4)CC3)c2c1
InChIInChI=1S/C27H31N3O2/c1-19(2)20-4-7-25-21(16-20)5-9-27(28-25)30-14-12-29(13-15-30)11-10-22-18-32-26-8-6-23(31-3)17-24(22)26/h4-9,16-19H,10-15H2,1-3H3
InChIKeySNJLTLWDHQWAEI-UHFFFAOYSA-N
MW429.56 g/mol
LogP5.48
Rot. Bonds6

About 2-[4-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-propan-2-ylquinoline

2-[4-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-propan-2-ylquinoline (PubChem CID 91498255) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is 2-[4-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-propan-2-ylquinoline.

Molecular Properties

Compound Name2-[4-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-propan-2-ylquinoline
PubChem CID91498255
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC Name2-[4-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-propan-2-ylquinoline
SMILESCOc1ccc2occ(CCN3CCN(c4ccc5cc(C(C)C)ccc5n4)CC3)c2c1
InChIInChI=1S/C27H31N3O2/c1-19(2)20-4-7-25-21(16-20)5-9-27(28-25)30-14-12-29(13-15-30)11-10-22-18-32-26-8-6-23(31-3)17-24(22)26/h4-9,16-19H,10-15H2,1-3H3
InChIKeySNJLTLWDHQWAEI-UHFFFAOYSA-N
XLogP5.48
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.56
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-propan-2-ylquinoline with MolForge

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Related Compounds

2-piperazin-1-yl-6-propan-2-ylquinoline
CID 82166087
6-methoxy-2-piperidin-1-ylquinoline
CID 143398989
6-chloro-8-[4-[2-(6-methoxy-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline
CID 11270142
1-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyridin-2-ylpiperazine
CID 21120027
2-(4-cyclopropylpiperazin-1-yl)-6-methoxyquinoline;dihydrochloride
CID 11302721
2-(5-methoxy-1-benzofuran-3-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 18860283
7-benzyl-2-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-2-azabicyclo[2.2.2]oct-5-ene
CID 121364890
4-methoxy-6-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine
CID 155800641
3-(5-methoxy-1-benzofuran-3-yl)propanoate
CID 6921490
2-(5-methoxy-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone
CID 110488784
6-methoxy-3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]chromen-4-one
CID 51001825
2-(5-methoxy-1-benzofuran-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 18860278

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-propan-2-ylquinoline?
The IUPAC name of 2-[4-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-propan-2-ylquinoline (CID 91498255) is 2-[4-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-propan-2-ylquinoline.
What is the SMILES notation for 2-[4-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-propan-2-ylquinoline?
The canonical SMILES for 2-[4-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-propan-2-ylquinoline is COc1ccc2occ(CCN3CCN(c4ccc5cc(C(C)C)ccc5n4)CC3)c2c1.
What is the InChIKey of 2-[4-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-propan-2-ylquinoline?
The InChIKey is SNJLTLWDHQWAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-19(2)20-4-7-25-21(16-20)5-9-27(28-25)30-14-12-29(13-15-30)11-10-22-18-32-26-8-6-23(31-3)17-24(22)26/h4-9,16-19H,10-15H2,1-3H3.
What are the key properties of 2-[4-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-propan-2-ylquinoline?
2-[4-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-propan-2-ylquinoline has a molecular weight of 429.56 g/mol, XLogP of 5.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-propan-2-ylquinoline is sourced from PubChem (CID 91498255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).