[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-methylfuro[3,2-c]quinolin-2-yl)methanone

C24H22ClN3O2 — CID 20868576

IUPAC[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-methylfuro[3,2-c]quinolin-2-yl)methanone
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)c2cc3c(C)nc4ccccc4c3o2)CC1
InChIInChI=1S/C24H22ClN3O2/c1-15-7-8-17(25)13-21(15)27-9-11-28(12-10-27)24(29)22-14-19-16(2)26-20-6-4-3-5-18(20)23(19)30-22/h3-8,13-14H,9-12H2,1-2H3
InChIKeyKKJOEKRNHXLZAS-UHFFFAOYSA-N
MW419.91 g/mol
LogP5.21
Rot. Bonds2

About [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-methylfuro[3,2-c]quinolin-2-yl)methanone

[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-methylfuro[3,2-c]quinolin-2-yl)methanone (PubChem CID 20868576) has the molecular formula C24H22ClN3O2 and a molecular weight of 419.91 g/mol. Its IUPAC name is [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-methylfuro[3,2-c]quinolin-2-yl)methanone.

Molecular Properties

Compound Name[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-methylfuro[3,2-c]quinolin-2-yl)methanone
PubChem CID20868576
Molecular FormulaC24H22ClN3O2
Molecular Weight419.91 g/mol
Exact Mass419.14
IUPAC Name[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-methylfuro[3,2-c]quinolin-2-yl)methanone
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)c2cc3c(C)nc4ccccc4c3o2)CC1
InChIInChI=1S/C24H22ClN3O2/c1-15-7-8-17(25)13-21(15)27-9-11-28(12-10-27)24(29)22-14-19-16(2)26-20-6-4-3-5-18(20)23(19)30-22/h3-8,13-14H,9-12H2,1-2H3
InChIKeyKKJOEKRNHXLZAS-UHFFFAOYSA-N
XLogP5.21
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.91
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-methylfuro[3,2-c]quinolin-2-yl)methanone?
The IUPAC name of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-methylfuro[3,2-c]quinolin-2-yl)methanone (CID 20868576) is [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-methylfuro[3,2-c]quinolin-2-yl)methanone.
What is the SMILES notation for [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-methylfuro[3,2-c]quinolin-2-yl)methanone?
The canonical SMILES for [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-methylfuro[3,2-c]quinolin-2-yl)methanone is Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc3c(C)nc4ccccc4c3o2)CC1.
What is the InChIKey of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-methylfuro[3,2-c]quinolin-2-yl)methanone?
The InChIKey is KKJOEKRNHXLZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O2/c1-15-7-8-17(25)13-21(15)27-9-11-28(12-10-27)24(29)22-14-19-16(2)26-20-6-4-3-5-18(20)23(19)30-22/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-methylfuro[3,2-c]quinolin-2-yl)methanone?
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-methylfuro[3,2-c]quinolin-2-yl)methanone has a molecular weight of 419.91 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-methylfuro[3,2-c]quinolin-2-yl)methanone is sourced from PubChem (CID 20868576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).