[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

C23H23F3N4O3 — CID 101093400

IUPAC[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCOc1cc2nc(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)cc(N)c2cc1OC
InChIInChI=1S/C23H23F3N4O3/c1-32-19-11-15-17(27)12-21(28-18(15)13-20(19)33-2)29-7-9-30(10-8-29)22(31)14-5-3-4-6-16(14)23(24,25)26/h3-6,11-13H,7-10H2,1-2H3,(H2,27,28)
InChIKeyKJCFNJAWBYEYMG-UHFFFAOYSA-N
MW460.46 g/mol
LogP3.82
Rot. Bonds4

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

[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 101093400) has the molecular formula C23H23F3N4O3 and a molecular weight of 460.46 g/mol. Its IUPAC name is [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
PubChem CID101093400
Molecular FormulaC23H23F3N4O3
Molecular Weight460.46 g/mol
Exact Mass460.17
IUPAC Name[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCOc1cc2nc(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)cc(N)c2cc1OC
InChIInChI=1S/C23H23F3N4O3/c1-32-19-11-15-17(27)12-21(28-18(15)13-20(19)33-2)29-7-9-30(10-8-29)22(31)14-5-3-4-6-16(14)23(24,25)26/h3-6,11-13H,7-10H2,1-2H3,(H2,27,28)
InChIKeyKJCFNJAWBYEYMG-UHFFFAOYSA-N
XLogP3.82
TPSA80.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone with MolForge

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Related Compounds

Bunazosin
CID 2472
Lotamilast
CID 24864553
Abanoquil
CID 164089
Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(1-oxo-3-phenyl-2-propenyl)-
CID 6447063
2-amino-6,7-dimethoxy-N-phenylquinoline-3-carboxamide
CID 615754
4-(4-(N-benzoylamino)anilino)-6-methoxy-7-(3-(1-morpholino)propoxy)quinazoline
CID 9914412
[4-(4-Amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 14069003
1-Piperazinecarboxamide, 4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-N-phenyl-
CID 3061443
N-[5-({6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinazolin-4-yl}amino)pyrimidin-2-yl]benzamide
CID 23646072
L-765314
CID 6603904
Aurora Kinase Inhibitor II
CID 6610278
N-(2-(4-Ethylpiperazin-1-yl)-4-methylquinolin-6-yl)-3,4-dimethoxybenzamide
CID 9550693

Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 101093400) is [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is COc1cc2nc(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)cc(N)c2cc1OC.
What is the InChIKey of [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is KJCFNJAWBYEYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O3/c1-32-19-11-15-17(27)12-21(28-18(15)13-20(19)33-2)29-7-9-30(10-8-29)22(31)14-5-3-4-6-16(14)23(24,25)26/h3-6,11-13H,7-10H2,1-2H3,(H2,27,28).
What are the key properties of [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 460.46 g/mol, XLogP of 3.82, 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]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 101093400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).