8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-4-propan-2-yl-1H-imidazo[4,5-c]quinolin-2-one

C26H31FN6O — CID 129104387

IUPAC8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-4-propan-2-yl-1H-imidazo[4,5-c]quinolin-2-one
SMILESCC(C)c1nc2cc(F)c(-c3ccc(N4CCC(N(C)C)CC4)nc3)cc2c2[nH]c(=O)n(C)c12
InChIInChI=1S/C26H31FN6O/c1-15(2)23-25-24(30-26(34)32(25)5)19-12-18(20(27)13-21(19)29-23)16-6-7-22(28-14-16)33-10-8-17(9-11-33)31(3)4/h6-7,12-15,17H,8-11H2,1-5H3,(H,30,34)
InChIKeyDNCUURXDIAMLAD-UHFFFAOYSA-N
MW462.57 g/mol
LogP4.27
Rot. Bonds4

About 8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-4-propan-2-yl-1H-imidazo[4,5-c]quinolin-2-one

8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-4-propan-2-yl-1H-imidazo[4,5-c]quinolin-2-one (PubChem CID 129104387) has the molecular formula C26H31FN6O and a molecular weight of 462.57 g/mol. Its IUPAC name is 8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-4-propan-2-yl-1H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-4-propan-2-yl-1H-imidazo[4,5-c]quinolin-2-one
PubChem CID129104387
Molecular FormulaC26H31FN6O
Molecular Weight462.57 g/mol
Exact Mass462.25
IUPAC Name8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-4-propan-2-yl-1H-imidazo[4,5-c]quinolin-2-one
SMILESCC(C)c1nc2cc(F)c(-c3ccc(N4CCC(N(C)C)CC4)nc3)cc2c2[nH]c(=O)n(C)c12
InChIInChI=1S/C26H31FN6O/c1-15(2)23-25-24(30-26(34)32(25)5)19-12-18(20(27)13-21(19)29-23)16-6-7-22(28-14-16)33-10-8-17(9-11-33)31(3)4/h6-7,12-15,17H,8-11H2,1-5H3,(H,30,34)
InChIKeyDNCUURXDIAMLAD-UHFFFAOYSA-N
XLogP4.27
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-4-[(1S,3S)-3-methoxycyclopentyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one
CID 129104378
8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-[(3S)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one
CID 129104509
8-[6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 146530575
8-[4-[3-(dimethylamino)propoxy]phenyl]-7-fluoro-3-methyl-4-(oxan-4-yl)-1H-imidazo[4,5-c]quinolin-2-one
CID 129104274
9-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-10-fluoro-2-methylspiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaene-5,1'-cyclopropane]-3-one
CID 170105370
9-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylpyrazolo[1,5-c]quinazolin-2-one
CID 155573075
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43586285
8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-3-methyl-1-[(3S)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one
CID 129120531
4-[2-[4-(dimethylamino)piperidin-1-yl]-5-(2-methylindazol-5-yl)-4-pyridinyl]-2-fluorobenzonitrile
CID 118920626
3-cyclopropyl-7-fluoro-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1H-imidazo[4,5-c]quinolin-2-one
CID 166645391
N-[(5S)-3-[3-fluoro-4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide
CID 91166814
N-[17-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-16-fluoro-9-methyl-2-oxa-9,13-diazatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),10,12,14,16-pentaen-11-yl]-N-methylformamide
CID 170106611

Frequently Asked Questions

What is the IUPAC name of 8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-4-propan-2-yl-1H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-4-propan-2-yl-1H-imidazo[4,5-c]quinolin-2-one (CID 129104387) is 8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-4-propan-2-yl-1H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-4-propan-2-yl-1H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-4-propan-2-yl-1H-imidazo[4,5-c]quinolin-2-one is CC(C)c1nc2cc(F)c(-c3ccc(N4CCC(N(C)C)CC4)nc3)cc2c2[nH]c(=O)n(C)c12.
What is the InChIKey of 8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-4-propan-2-yl-1H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is DNCUURXDIAMLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN6O/c1-15(2)23-25-24(30-26(34)32(25)5)19-12-18(20(27)13-21(19)29-23)16-6-7-22(28-14-16)33-10-8-17(9-11-33)31(3)4/h6-7,12-15,17H,8-11H2,1-5H3,(H,30,34).
What are the key properties of 8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-4-propan-2-yl-1H-imidazo[4,5-c]quinolin-2-one?
8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-4-propan-2-yl-1H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 462.57 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-4-propan-2-yl-1H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 129104387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).