7,7-dimethyl-2-quinolin-3-yl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one

C18H18N4O — CID 50985638

IUPAC7,7-dimethyl-2-quinolin-3-yl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
SMILESCC1(C)CNC(=O)c2nc(-c3cnc4ccccc4c3)[nH]c2C1
InChIInChI=1S/C18H18N4O/c1-18(2)8-14-15(17(23)20-10-18)22-16(21-14)12-7-11-5-3-4-6-13(11)19-9-12/h3-7,9H,8,10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyAINBGPHUHABNMH-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.94
Rot. Bonds1

About 7,7-dimethyl-2-quinolin-3-yl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one

7,7-dimethyl-2-quinolin-3-yl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one (PubChem CID 50985638) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 7,7-dimethyl-2-quinolin-3-yl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one.

Molecular Properties

Compound Name7,7-dimethyl-2-quinolin-3-yl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
PubChem CID50985638
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name7,7-dimethyl-2-quinolin-3-yl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
SMILESCC1(C)CNC(=O)c2nc(-c3cnc4ccccc4c3)[nH]c2C1
InChIInChI=1S/C18H18N4O/c1-18(2)8-14-15(17(23)20-10-18)22-16(21-14)12-7-11-5-3-4-6-13(11)19-9-12/h3-7,9H,8,10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyAINBGPHUHABNMH-UHFFFAOYSA-N
XLogP2.94
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-quinolin-3-yl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one?
The IUPAC name of 7,7-dimethyl-2-quinolin-3-yl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one (CID 50985638) is 7,7-dimethyl-2-quinolin-3-yl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one.
What is the SMILES notation for 7,7-dimethyl-2-quinolin-3-yl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one?
The canonical SMILES for 7,7-dimethyl-2-quinolin-3-yl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one is CC1(C)CNC(=O)c2nc(-c3cnc4ccccc4c3)[nH]c2C1.
What is the InChIKey of 7,7-dimethyl-2-quinolin-3-yl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one?
The InChIKey is AINBGPHUHABNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-18(2)8-14-15(17(23)20-10-18)22-16(21-14)12-7-11-5-3-4-6-13(11)19-9-12/h3-7,9H,8,10H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 7,7-dimethyl-2-quinolin-3-yl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one?
7,7-dimethyl-2-quinolin-3-yl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one has a molecular weight of 306.37 g/mol, XLogP of 2.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-quinolin-3-yl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one is sourced from PubChem (CID 50985638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).