1-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one

C22H21F2N5O — CID 167528103

IUPAC1-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
SMILESCN1CC[C@H](n2c(=O)n(C)c3cnc4ccc(-c5cccnc5)cc4c32)C(F)(F)C1
InChIInChI=1S/C22H21F2N5O/c1-27-9-7-19(22(23,24)13-27)29-20-16-10-14(15-4-3-8-25-11-15)5-6-17(16)26-12-18(20)28(2)21(29)30/h3-6,8,10-12,19H,7,9,13H2,1-2H3/t19-/m0/s1
InChIKeyDITICHUCWLHCPJ-IBGZPJMESA-N
MW409.44 g/mol
LogP3.46
Rot. Bonds2

About 1-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one

1-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one (PubChem CID 167528103) has the molecular formula C22H21F2N5O and a molecular weight of 409.44 g/mol. Its IUPAC name is 1-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
PubChem CID167528103
Molecular FormulaC22H21F2N5O
Molecular Weight409.44 g/mol
Exact Mass409.17
IUPAC Name1-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
SMILESCN1CC[C@H](n2c(=O)n(C)c3cnc4ccc(-c5cccnc5)cc4c32)C(F)(F)C1
InChIInChI=1S/C22H21F2N5O/c1-27-9-7-19(22(23,24)13-27)29-20-16-10-14(15-4-3-8-25-11-15)5-6-17(16)26-12-18(20)28(2)21(29)30/h3-6,8,10-12,19H,7,9,13H2,1-2H3/t19-/m0/s1
InChIKeyDITICHUCWLHCPJ-IBGZPJMESA-N
XLogP3.46
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
CID 167528112
8-[6-(deuteriomethoxy)-3-pyridinyl]-1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 168863875
8-[6-(deuteriomethoxy)-3-pyridinyl]-1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 168863881
1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-8-(6-methoxy-3-pyridinyl)-3-(trideuteriomethyl)imidazo[4,5-c]quinolin-2-one
CID 167528100
1-(1-ethyl-3,3-difluoropiperidin-4-yl)-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 167528089
1-(2-ethylphenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
CID 11978091
1-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
CID 11978553
8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxetan-2-yl)imidazo[4,5-c]quinolin-2-one
CID 152570701
3-[(4-methoxyphenyl)methyl]-1-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
CID 155551609
N-methyl-N-[4-(3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanesulfonamide
CID 11978436
8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxolan-3-yl)imidazo[4,5-c]quinolin-2-one
CID 123853510
1-(3-chloro-4-imidazol-1-ylphenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
CID 11979036

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one (CID 167528103) is 1-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one is CN1CC[C@H](n2c(=O)n(C)c3cnc4ccc(-c5cccnc5)cc4c32)C(F)(F)C1.
What is the InChIKey of 1-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one?
The InChIKey is DITICHUCWLHCPJ-IBGZPJMESA-N. The full InChI is InChI=1S/C22H21F2N5O/c1-27-9-7-19(22(23,24)13-27)29-20-16-10-14(15-4-3-8-25-11-15)5-6-17(16)26-12-18(20)28(2)21(29)30/h3-6,8,10-12,19H,7,9,13H2,1-2H3/t19-/m0/s1.
What are the key properties of 1-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one?
1-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one has a molecular weight of 409.44 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 167528103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).