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

C22H19FN6O2 — CID 122589442

IUPAC1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1c(C)cncc1F)c(=O)n3C
InChIInChI=1S/C22H19FN6O2/c1-12-7-24-9-16(23)20(12)29-21-15-5-14(13-8-26-27(2)11-13)19(31-4)6-17(15)25-10-18(21)28(3)22(29)30/h5-11H,1-4H3
InChIKeyBGHCQTQTZXMZFG-UHFFFAOYSA-N
MW418.43 g/mol
LogP3.13
Rot. Bonds3

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

1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 122589442) has the molecular formula C22H19FN6O2 and a molecular weight of 418.43 g/mol. Its IUPAC name is 1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID122589442
Molecular FormulaC22H19FN6O2
Molecular Weight418.43 g/mol
Exact Mass418.16
IUPAC Name1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1c(C)cncc1F)c(=O)n3C
InChIInChI=1S/C22H19FN6O2/c1-12-7-24-9-16(23)20(12)29-21-15-5-14(13-8-26-27(2)11-13)19(31-4)6-17(15)25-10-18(21)28(3)22(29)30/h5-11H,1-4H3
InChIKeyBGHCQTQTZXMZFG-UHFFFAOYSA-N
XLogP3.13
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

DNA-PK-IN-11
CID 56847587
M-4076
CID 122599280
Dihydropyrrolopyrazole, 16a
CID 21992654
8-[6-[3-(Dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one
CID 118498683
8-[6-[3-(Dimethylamino)propoxy]-2-fluoro-3-pyridinyl]-1-(3-methoxycyclobutyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 118500108
4,5-Diethyl-14-methoxy-17-pentyl-6,17-diaza-7-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene
CID 10076856
8-[6-[3-(Dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-1-(3-methoxycyclobutyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 118502892
3-Methyl-1-propan-2-yl-8-[6-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
CID 126689144
1-[4-(4-Ethylpiperazin-1-yl)phenyl]-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline
CID 56592259
3-fluoro-4-[7-methoxy-3-methyl-2-oxo-8-[(E)-2-phenylethenyl]imidazo[4,5-c]quinolin-1-yl]benzonitrile
CID 56846720
3-Fluoro-4-[7-methoxy-3-methyl-8-(2-methylpyrazol-3-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile
CID 56847640
3-Fluoro-4-[7-methoxy-3-methyl-8-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile
CID 56847642

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (CID 122589442) is 1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is COc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1c(C)cncc1F)c(=O)n3C.
What is the InChIKey of 1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is BGHCQTQTZXMZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O2/c1-12-7-24-9-16(23)20(12)29-21-15-5-14(13-8-26-27(2)11-13)19(31-4)6-17(15)25-10-18(21)28(3)22(29)30/h5-11H,1-4H3.
What are the key properties of 1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 418.43 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 122589442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).