1-[5-(2-aminopropoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one

C24H24FN7O3 — CID 134325599

IUPAC1-[5-(2-aminopropoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1ncc(OCC(C)N)cc1F)c(=O)n3C
InChIInChI=1S/C24H24FN7O3/c1-13(26)12-35-15-5-18(25)23(28-9-15)32-22-17-6-16(14-8-29-30(2)11-14)21(34-4)7-19(17)27-10-20(22)31(3)24(32)33/h5-11,13H,12,26H2,1-4H3
InChIKeyDZFXWUGXGHPEJS-UHFFFAOYSA-N
MW477.50 g/mol
LogP2.55
Rot. Bonds6

About 1-[5-(2-aminopropoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one

1-[5-(2-aminopropoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 134325599) has the molecular formula C24H24FN7O3 and a molecular weight of 477.50 g/mol. Its IUPAC name is 1-[5-(2-aminopropoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-[5-(2-aminopropoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID134325599
Molecular FormulaC24H24FN7O3
Molecular Weight477.50 g/mol
Exact Mass477.19
IUPAC Name1-[5-(2-aminopropoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1ncc(OCC(C)N)cc1F)c(=O)n3C
InChIInChI=1S/C24H24FN7O3/c1-13(26)12-35-15-5-18(25)23(28-9-15)32-22-17-6-16(14-8-29-30(2)11-14)21(34-4)7-19(17)27-10-20(22)31(3)24(32)33/h5-11,13H,12,26H2,1-4H3
InChIKeyDZFXWUGXGHPEJS-UHFFFAOYSA-N
XLogP2.55
TPSA115.01 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.50
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-[5-(2-aminopropoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)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

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-aminopropoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-[5-(2-aminopropoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (CID 134325599) is 1-[5-(2-aminopropoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-[5-(2-aminopropoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-[5-(2-aminopropoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is COc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1ncc(OCC(C)N)cc1F)c(=O)n3C.
What is the InChIKey of 1-[5-(2-aminopropoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is DZFXWUGXGHPEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O3/c1-13(26)12-35-15-5-18(25)23(28-9-15)32-22-17-6-16(14-8-29-30(2)11-14)21(34-4)7-19(17)27-10-20(22)31(3)24(32)33/h5-11,13H,12,26H2,1-4H3.
What are the key properties of 1-[5-(2-aminopropoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
1-[5-(2-aminopropoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 477.50 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-aminopropoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 134325599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).