(4-benzylpiperazin-1-yl)-(4-methylfuro[3,2-c]quinolin-2-yl)methanone

C24H23N3O2 — CID 20868547

IUPAC(4-benzylpiperazin-1-yl)-(4-methylfuro[3,2-c]quinolin-2-yl)methanone
SMILESCc1nc2ccccc2c2oc(C(=O)N3CCN(Cc4ccccc4)CC3)cc12
InChIInChI=1S/C24H23N3O2/c1-17-20-15-22(29-23(20)19-9-5-6-10-21(19)25-17)24(28)27-13-11-26(12-14-27)16-18-7-3-2-4-8-18/h2-10,15H,11-14,16H2,1H3
InChIKeyVHPBTNSDISZYKB-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.25
Rot. Bonds3

About (4-benzylpiperazin-1-yl)-(4-methylfuro[3,2-c]quinolin-2-yl)methanone

(4-benzylpiperazin-1-yl)-(4-methylfuro[3,2-c]quinolin-2-yl)methanone (PubChem CID 20868547) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(4-methylfuro[3,2-c]quinolin-2-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(4-methylfuro[3,2-c]quinolin-2-yl)methanone
PubChem CID20868547
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name(4-benzylpiperazin-1-yl)-(4-methylfuro[3,2-c]quinolin-2-yl)methanone
SMILESCc1nc2ccccc2c2oc(C(=O)N3CCN(Cc4ccccc4)CC3)cc12
InChIInChI=1S/C24H23N3O2/c1-17-20-15-22(29-23(20)19-9-5-6-10-21(19)25-17)24(28)27-13-11-26(12-14-27)16-18-7-3-2-4-8-18/h2-10,15H,11-14,16H2,1H3
InChIKeyVHPBTNSDISZYKB-UHFFFAOYSA-N
XLogP4.25
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(4-methylfuro[3,2-c]quinolin-2-yl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(4-methylfuro[3,2-c]quinolin-2-yl)methanone (CID 20868547) is (4-benzylpiperazin-1-yl)-(4-methylfuro[3,2-c]quinolin-2-yl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(4-methylfuro[3,2-c]quinolin-2-yl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(4-methylfuro[3,2-c]quinolin-2-yl)methanone is Cc1nc2ccccc2c2oc(C(=O)N3CCN(Cc4ccccc4)CC3)cc12.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(4-methylfuro[3,2-c]quinolin-2-yl)methanone?
The InChIKey is VHPBTNSDISZYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-17-20-15-22(29-23(20)19-9-5-6-10-21(19)25-17)24(28)27-13-11-26(12-14-27)16-18-7-3-2-4-8-18/h2-10,15H,11-14,16H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-(4-methylfuro[3,2-c]quinolin-2-yl)methanone?
(4-benzylpiperazin-1-yl)-(4-methylfuro[3,2-c]quinolin-2-yl)methanone has a molecular weight of 385.47 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(4-methylfuro[3,2-c]quinolin-2-yl)methanone is sourced from PubChem (CID 20868547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).