[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-phenylmethanone

C22H24N4O3 — CID 14069001

IUPAC[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-phenylmethanone
SMILESCOc1cc2nc(N3CCN(C(=O)c4ccccc4)CC3)cc(N)c2cc1OC
InChIInChI=1S/C22H24N4O3/c1-28-19-12-16-17(23)13-21(24-18(16)14-20(19)29-2)25-8-10-26(11-9-25)22(27)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H2,23,24)
InChIKeyOSYWJTLQNPVIKQ-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.80
Rot. Bonds4

About [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-phenylmethanone

[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-phenylmethanone (PubChem CID 14069001) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-phenylmethanone
PubChem CID14069001
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-phenylmethanone
SMILESCOc1cc2nc(N3CCN(C(=O)c4ccccc4)CC3)cc(N)c2cc1OC
InChIInChI=1S/C22H24N4O3/c1-28-19-12-16-17(23)13-21(24-18(16)14-20(19)29-2)25-8-10-26(11-9-25)22(27)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H2,23,24)
InChIKeyOSYWJTLQNPVIKQ-UHFFFAOYSA-N
XLogP2.80
TPSA80.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-phenylmethanone (CID 14069001) is [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-phenylmethanone is COc1cc2nc(N3CCN(C(=O)c4ccccc4)CC3)cc(N)c2cc1OC.
What is the InChIKey of [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-phenylmethanone?
The InChIKey is OSYWJTLQNPVIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-28-19-12-16-17(23)13-21(24-18(16)14-20(19)29-2)25-8-10-26(11-9-25)22(27)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H2,23,24).
What are the key properties of [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-phenylmethanone?
[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-phenylmethanone has a molecular weight of 392.46 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 14069001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).