(7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-quinolin-2-ylmethanone

C18H18N4O2 — CID 131638697

IUPAC(7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-quinolin-2-ylmethanone
SMILESCOC1CN(C(=O)c2ccc3ccccc3n2)Cc2ccnn2C1
InChIInChI=1S/C18H18N4O2/c1-24-15-11-21(10-14-8-9-19-22(14)12-15)18(23)17-7-6-13-4-2-3-5-16(13)20-17/h2-9,15H,10-12H2,1H3
InChIKeyACVAGDTUTLCRET-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.10
Rot. Bonds2

About (7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-quinolin-2-ylmethanone

(7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-quinolin-2-ylmethanone (PubChem CID 131638697) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is (7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-quinolin-2-ylmethanone.

Molecular Properties

Compound Name(7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-quinolin-2-ylmethanone
PubChem CID131638697
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name(7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-quinolin-2-ylmethanone
SMILESCOC1CN(C(=O)c2ccc3ccccc3n2)Cc2ccnn2C1
InChIInChI=1S/C18H18N4O2/c1-24-15-11-21(10-14-8-9-19-22(14)12-15)18(23)17-7-6-13-4-2-3-5-16(13)20-17/h2-9,15H,10-12H2,1H3
InChIKeyACVAGDTUTLCRET-UHFFFAOYSA-N
XLogP2.10
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-quinolin-2-ylmethanone with MolForge

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Related Compounds

[(7R)-7-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-quinolin-2-ylmethanone
CID 124819603
[(7R)-7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 124810978
(5-chloro-1-benzofuran-2-yl)-[(7R)-7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 124790163
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 40744893
6-methyl-4-[1-(quinoline-2-carbonyl)pyrrolidin-3-yl]oxypyran-2-one
CID 90628747
3-(4-ethoxyphenyl)-1-[(7R)-7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]propan-1-one
CID 124796563
(4-methylphenyl)-[(7S)-7-pyrimidin-2-yloxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 124819469
(2-methyl-1,3-thiazol-4-yl)-[(7R)-7-(pyridin-3-ylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 124809043
azepan-1-yl(quinolin-2-yl)methanone
CID 7779308
[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-quinolin-2-ylmethanone
CID 90566268
2-[[1-(quinoline-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126926685
[3-(pyrimidin-2-ylamino)azetidin-1-yl]-quinolin-2-ylmethanone
CID 121187471

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-quinolin-2-ylmethanone?
The IUPAC name of (7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-quinolin-2-ylmethanone (CID 131638697) is (7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-quinolin-2-ylmethanone.
What is the SMILES notation for (7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-quinolin-2-ylmethanone?
The canonical SMILES for (7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-quinolin-2-ylmethanone is COC1CN(C(=O)c2ccc3ccccc3n2)Cc2ccnn2C1.
What is the InChIKey of (7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-quinolin-2-ylmethanone?
The InChIKey is ACVAGDTUTLCRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-24-15-11-21(10-14-8-9-19-22(14)12-15)18(23)17-7-6-13-4-2-3-5-16(13)20-17/h2-9,15H,10-12H2,1H3.
What are the key properties of (7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-quinolin-2-ylmethanone?
(7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-quinolin-2-ylmethanone has a molecular weight of 322.37 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-quinolin-2-ylmethanone is sourced from PubChem (CID 131638697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).