8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-3-methyl-1-[(3S)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one

C28H34N6O2 — CID 129120531

IUPAC8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-3-methyl-1-[(3S)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one
SMILESCN(C)C1CCN(c2ccc(-c3ccc4ncc5c(c4c3)n([C@H]3CCCOC3)c(=O)n5C)cn2)CC1
InChIInChI=1S/C28H34N6O2/c1-31(2)21-10-12-33(13-11-21)26-9-7-20(16-30-26)19-6-8-24-23(15-19)27-25(17-29-24)32(3)28(35)34(27)22-5-4-14-36-18-22/h6-9,15-17,21-22H,4-5,10-14,18H2,1-3H3/t22-/m0/s1
InChIKeyFLMGXVUWAJSIDX-QFIPXVFZSA-N
MW486.62 g/mol
LogP3.83
Rot. Bonds4

About 8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-3-methyl-1-[(3S)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one

8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-3-methyl-1-[(3S)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one (PubChem CID 129120531) has the molecular formula C28H34N6O2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-3-methyl-1-[(3S)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-3-methyl-1-[(3S)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one
PubChem CID129120531
Molecular FormulaC28H34N6O2
Molecular Weight486.62 g/mol
Exact Mass486.27
IUPAC Name8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-3-methyl-1-[(3S)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one
SMILESCN(C)C1CCN(c2ccc(-c3ccc4ncc5c(c4c3)n([C@H]3CCCOC3)c(=O)n5C)cn2)CC1
InChIInChI=1S/C28H34N6O2/c1-31(2)21-10-12-33(13-11-21)26-9-7-20(16-30-26)19-6-8-24-23(15-19)27-25(17-29-24)32(3)28(35)34(27)22-5-4-14-36-18-22/h6-9,15-17,21-22H,4-5,10-14,18H2,1-3H3/t22-/m0/s1
InChIKeyFLMGXVUWAJSIDX-QFIPXVFZSA-N
XLogP3.83
TPSA68.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-3-methyl-1-[(3S)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 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) is 8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-3-methyl-1-[(3S)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-3-methyl-1-[(3S)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-3-methyl-1-[(3S)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one is CN(C)C1CCN(c2ccc(-c3ccc4ncc5c(c4c3)n([C@H]3CCCOC3)c(=O)n5C)cn2)CC1.
What is the InChIKey of 8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-3-methyl-1-[(3S)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one?
The InChIKey is FLMGXVUWAJSIDX-QFIPXVFZSA-N. The full InChI is InChI=1S/C28H34N6O2/c1-31(2)21-10-12-33(13-11-21)26-9-7-20(16-30-26)19-6-8-24-23(15-19)27-25(17-29-24)32(3)28(35)34(27)22-5-4-14-36-18-22/h6-9,15-17,21-22H,4-5,10-14,18H2,1-3H3/t22-/m0/s1.
What are the key properties of 8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-3-methyl-1-[(3S)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one?
8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-3-methyl-1-[(3S)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one has a molecular weight of 486.62 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-3-methyl-1-[(3S)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 129120531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).