8-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one

C25H20F3N5O2 — CID 91232152

IUPAC8-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
SMILESCc1cc(C(F)(F)F)ccc1-n1c(=O)n(C)c2cnc3ccc(-c4cnc(N)c(CO)c4)cc3c21
InChIInChI=1S/C25H20F3N5O2/c1-13-7-17(25(26,27)28)4-6-20(13)33-22-18-9-14(15-8-16(12-34)23(29)31-10-15)3-5-19(18)30-11-21(22)32(2)24(33)35/h3-11,34H,12H2,1-2H3,(H2,29,31)
InChIKeySECJXAQAIJZYCB-UHFFFAOYSA-N
MW479.46 g/mol
LogP4.34
Rot. Bonds3

About 8-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one

8-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one (PubChem CID 91232152) has the molecular formula C25H20F3N5O2 and a molecular weight of 479.46 g/mol. Its IUPAC name is 8-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
PubChem CID91232152
Molecular FormulaC25H20F3N5O2
Molecular Weight479.46 g/mol
Exact Mass479.16
IUPAC Name8-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
SMILESCc1cc(C(F)(F)F)ccc1-n1c(=O)n(C)c2cnc3ccc(-c4cnc(N)c(CO)c4)cc3c21
InChIInChI=1S/C25H20F3N5O2/c1-13-7-17(25(26,27)28)4-6-20(13)33-22-18-9-14(15-8-16(12-34)23(29)31-10-15)3-5-19(18)30-11-21(22)32(2)24(33)35/h3-11,34H,12H2,1-2H3,(H2,29,31)
InChIKeySECJXAQAIJZYCB-UHFFFAOYSA-N
XLogP4.34
TPSA98.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.46
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Samotolisib
CID 57519748
ATM Inhibitor-2
CID 163286323
2-Methyl-1-[2-methyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]propan-1-ol
CID 11744303
8-(6-Aminopyridin-3-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
CID 89509300
N-[5-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]pyridin-2-yl]acetamide
CID 118077858
8-(6-aminopyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one
CID 118077871
N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]pyridin-2-yl]acetamide
CID 118087312
8-(6-Amino-3-pyridinyl)-3-methyl-1-phenylimidazo[4,5-c]quinolin-2-one
CID 127046085
US10214546, Example 114
CID 134472016
8-(6-Amino-3-pyridinyl)-3-methyl-1-[4-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
CID 127045867
8-(6-Amino-3-pyridinyl)-1-(3-methoxyphenyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 127046084
8-(6-Amino-3-pyridinyl)-3-ethyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
CID 127046721

Frequently Asked Questions

What is the IUPAC name of 8-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one (CID 91232152) is 8-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one is Cc1cc(C(F)(F)F)ccc1-n1c(=O)n(C)c2cnc3ccc(-c4cnc(N)c(CO)c4)cc3c21.
What is the InChIKey of 8-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
The InChIKey is SECJXAQAIJZYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N5O2/c1-13-7-17(25(26,27)28)4-6-20(13)33-22-18-9-14(15-8-16(12-34)23(29)31-10-15)3-5-19(18)30-11-21(22)32(2)24(33)35/h3-11,34H,12H2,1-2H3,(H2,29,31).
What are the key properties of 8-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
8-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one has a molecular weight of 479.46 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 91232152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).