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

C26H31FN6O — CID 129120553

IUPAC8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-2-one
SMILESCC(C)n1c(=O)n(C)c2cnc3cc(F)c(-c4ccc(N5CCC(N(C)C)CC5)nc4)cc3c21
InChIInChI=1S/C26H31FN6O/c1-16(2)33-25-20-12-19(21(27)13-22(20)28-15-23(25)31(5)26(33)34)17-6-7-24(29-14-17)32-10-8-18(9-11-32)30(3)4/h6-7,12-16,18H,8-11H2,1-5H3
InChIKeyCKORAFZQPJNRPN-UHFFFAOYSA-N
MW462.57 g/mol
LogP4.20
Rot. Bonds4

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

8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-2-one (PubChem CID 129120553) 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-1-propan-2-ylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-2-one
PubChem CID129120553
Molecular FormulaC26H31FN6O
Molecular Weight462.57 g/mol
Exact Mass462.25
IUPAC Name8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-2-one
SMILESCC(C)n1c(=O)n(C)c2cnc3cc(F)c(-c4ccc(N5CCC(N(C)C)CC5)nc4)cc3c21
InChIInChI=1S/C26H31FN6O/c1-16(2)33-25-20-12-19(21(27)13-22(20)28-15-23(25)31(5)26(33)34)17-6-7-24(29-14-17)32-10-8-18(9-11-32)30(3)4/h6-7,12-16,18H,8-11H2,1-5H3
InChIKeyCKORAFZQPJNRPN-UHFFFAOYSA-N
XLogP4.20
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-2-one (CID 129120553) is 8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[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-1-propan-2-ylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-2-one is CC(C)n1c(=O)n(C)c2cnc3cc(F)c(-c4ccc(N5CCC(N(C)C)CC5)nc4)cc3c21.
What is the InChIKey of 8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-2-one?
The InChIKey is CKORAFZQPJNRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN6O/c1-16(2)33-25-20-12-19(21(27)13-22(20)28-15-23(25)31(5)26(33)34)17-6-7-24(29-14-17)32-10-8-18(9-11-32)30(3)4/h6-7,12-16,18H,8-11H2,1-5H3.
What are the key properties of 8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-2-one?
8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-2-one has a molecular weight of 462.57 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 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-1-propan-2-ylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 129120553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).