(6,7-difluoroquinolin-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

C16H12F2N4O — CID 167862473

IUPAC(6,7-difluoroquinolin-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1ccc2cc(F)c(F)cc2n1)N1CCc2nc[nH]c2C1
InChIInChI=1S/C16H12F2N4O/c17-10-5-9-1-2-13(21-14(9)6-11(10)18)16(23)22-4-3-12-15(7-22)20-8-19-12/h1-2,5-6,8H,3-4,7H2,(H,19,20)
InChIKeyDAMNQUJKVITJIW-UHFFFAOYSA-N
MW314.30 g/mol
LogP2.43
Rot. Bonds1

About (6,7-difluoroquinolin-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

(6,7-difluoroquinolin-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 167862473) has the molecular formula C16H12F2N4O and a molecular weight of 314.30 g/mol. Its IUPAC name is (6,7-difluoroquinolin-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(6,7-difluoroquinolin-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID167862473
Molecular FormulaC16H12F2N4O
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC Name(6,7-difluoroquinolin-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1ccc2cc(F)c(F)cc2n1)N1CCc2nc[nH]c2C1
InChIInChI=1S/C16H12F2N4O/c17-10-5-9-1-2-13(21-14(9)6-11(10)18)16(23)22-4-3-12-15(7-22)20-8-19-12/h1-2,5-6,8H,3-4,7H2,(H,19,20)
InChIKeyDAMNQUJKVITJIW-UHFFFAOYSA-N
XLogP2.43
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6,7-difluoroquinolin-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone with MolForge

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Related Compounds

(3,4-dichlorophenyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 110712764
(3,5-dichlorophenyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 150004835
(4-methylphenyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 110712760
[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 154838235
2-chloro-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 131057090
4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-2H-isoquinolin-1-one
CID 154782169
3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)benzonitrile
CID 53145213
N-(3-chloro-4-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 53145264
trifluoromethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
CID 142926418
1,4,5,7,8,9-hexahydroimidazo[4,5-d]azocin-6-yl(naphthalen-2-yl)methanone
CID 20803055
[2-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-5-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 169164728
(5-methyl-1,3,4-oxadiazol-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 169166195

Frequently Asked Questions

What is the IUPAC name of (6,7-difluoroquinolin-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (6,7-difluoroquinolin-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (CID 167862473) is (6,7-difluoroquinolin-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (6,7-difluoroquinolin-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (6,7-difluoroquinolin-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is O=C(c1ccc2cc(F)c(F)cc2n1)N1CCc2nc[nH]c2C1.
What is the InChIKey of (6,7-difluoroquinolin-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is DAMNQUJKVITJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O/c17-10-5-9-1-2-13(21-14(9)6-11(10)18)16(23)22-4-3-12-15(7-22)20-8-19-12/h1-2,5-6,8H,3-4,7H2,(H,19,20).
What are the key properties of (6,7-difluoroquinolin-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
(6,7-difluoroquinolin-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 314.30 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-difluoroquinolin-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 167862473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).