[4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)anilino] 2,2,2-trifluoroacetate

C20H15F3N4O4 — CID 139490392

IUPAC[4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)anilino] 2,2,2-trifluoroacetate
SMILESCOc1cc2ncc3ncn(-c4ccc(NOC(=O)C(F)(F)F)cc4)c3c2cc1OC
InChIInChI=1S/C20H15F3N4O4/c1-29-16-7-13-14(8-17(16)30-2)24-9-15-18(13)27(10-25-15)12-5-3-11(4-6-12)26-31-19(28)20(21,22)23/h3-10,26H,1-2H3
InChIKeyQDDHBIAZWBSPBQ-UHFFFAOYSA-N
MW432.36 g/mol
LogP4.02
Rot. Bonds5

About [4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)anilino] 2,2,2-trifluoroacetate

[4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)anilino] 2,2,2-trifluoroacetate (PubChem CID 139490392) has the molecular formula C20H15F3N4O4 and a molecular weight of 432.36 g/mol. Its IUPAC name is [4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)anilino] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)anilino] 2,2,2-trifluoroacetate
PubChem CID139490392
Molecular FormulaC20H15F3N4O4
Molecular Weight432.36 g/mol
Exact Mass432.10
IUPAC Name[4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)anilino] 2,2,2-trifluoroacetate
SMILESCOc1cc2ncc3ncn(-c4ccc(NOC(=O)C(F)(F)F)cc4)c3c2cc1OC
InChIInChI=1S/C20H15F3N4O4/c1-29-16-7-13-14(8-17(16)30-2)24-9-15-18(13)27(10-25-15)12-5-3-11(4-6-12)26-31-19(28)20(21,22)23/h3-10,26H,1-2H3
InChIKeyQDDHBIAZWBSPBQ-UHFFFAOYSA-N
XLogP4.02
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)phenyl]methylcarbamic acid
CID 139490700
tert-butyl N-[[4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)phenyl]methyl]carbamate
CID 139504793
tert-butyl N-[4-[(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate
CID 139505183
(4-methoxyanilino) 2,2,2-trifluoroacetate
CID 87301067
6,7-dimethoxy-3-(4-methoxyphenyl)quinazolin-4-one
CID 118722445
4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide
CID 17434692
3,4,5-trimethoxy-N-[1-(4-methylphenyl)benzimidazol-5-yl]benzamide
CID 1077763
methyl 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)benzoate
CID 7749347
N-hydroxy-6,7-dimethoxy-4-(trifluoromethyl)quinoline-3-carboxamide
CID 58525533
[4-(7,8-dimethoxy-1-methylimidazo[4,5-c]quinolin-2-yl)phenyl]phosphonic acid
CID 163399453
3-(1,3-benzodioxol-5-yl)-6,7-dimethoxyquinazolin-4-one
CID 7749326
methyl 4-chloro-6,7-dimethoxyquinoline-3-carboxylate
CID 102614410

Frequently Asked Questions

What is the IUPAC name of [4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)anilino] 2,2,2-trifluoroacetate?
The IUPAC name of [4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)anilino] 2,2,2-trifluoroacetate (CID 139490392) is [4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)anilino] 2,2,2-trifluoroacetate.
What is the SMILES notation for [4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)anilino] 2,2,2-trifluoroacetate?
The canonical SMILES for [4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)anilino] 2,2,2-trifluoroacetate is COc1cc2ncc3ncn(-c4ccc(NOC(=O)C(F)(F)F)cc4)c3c2cc1OC.
What is the InChIKey of [4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)anilino] 2,2,2-trifluoroacetate?
The InChIKey is QDDHBIAZWBSPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O4/c1-29-16-7-13-14(8-17(16)30-2)24-9-15-18(13)27(10-25-15)12-5-3-11(4-6-12)26-31-19(28)20(21,22)23/h3-10,26H,1-2H3.
What are the key properties of [4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)anilino] 2,2,2-trifluoroacetate?
[4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)anilino] 2,2,2-trifluoroacetate has a molecular weight of 432.36 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)anilino] 2,2,2-trifluoroacetate is sourced from PubChem (CID 139490392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).