(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-quinolin-4-ylmethanone

C16H17N3O — CID 154566115

IUPAC(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-quinolin-4-ylmethanone
SMILESCN1CC2(C1)CN(C(=O)c1ccnc3ccccc13)C2
InChIInChI=1S/C16H17N3O/c1-18-8-16(9-18)10-19(11-16)15(20)13-6-7-17-14-5-3-2-4-12(13)14/h2-7H,8-11H2,1H3
InChIKeyAZVXROMHCAKQJT-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.62
Rot. Bonds1

About (6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-quinolin-4-ylmethanone

(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-quinolin-4-ylmethanone (PubChem CID 154566115) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is (6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-quinolin-4-ylmethanone.

Molecular Properties

Compound Name(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-quinolin-4-ylmethanone
PubChem CID154566115
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-quinolin-4-ylmethanone
SMILESCN1CC2(C1)CN(C(=O)c1ccnc3ccccc13)C2
InChIInChI=1S/C16H17N3O/c1-18-8-16(9-18)10-19(11-16)15(20)13-6-7-17-14-5-3-2-4-12(13)14/h2-7H,8-11H2,1H3
InChIKeyAZVXROMHCAKQJT-UHFFFAOYSA-N
XLogP1.62
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-quinolin-4-ylmethanone
CID 71971495
ethyl 4-(quinoline-4-carbonyl)piperazine-1-carboxylate
CID 110694883
2-ethyl-9-(quinoline-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72904189
(2,2-dimethylpyrrolidin-1-yl)-quinolin-4-ylmethanone
CID 154753164
(3-bromo-4-methylpiperidin-1-yl)-quinolin-4-ylmethanone
CID 102962196
1,2-oxazolidin-2-yl(quinolin-4-yl)methanone
CID 113375772
[4-(2-fluorophenyl)piperazin-1-yl]-quinolin-4-ylmethanone
CID 110694885
4-(quinoline-4-carbonyl)-1,4-diazepan-2-one
CID 78918249
[3-methyl-4-(methylamino)piperidin-1-yl]-quinolin-4-ylmethanone
CID 114498251
2-amino-4-[4-(quinoline-4-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136664883
2,2-dimethyl-1-quinolin-4-ylpropan-1-one
CID 12913278
[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]-quinolin-4-ylmethanone
CID 90683529

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-quinolin-4-ylmethanone?
The IUPAC name of (6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-quinolin-4-ylmethanone (CID 154566115) is (6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-quinolin-4-ylmethanone.
What is the SMILES notation for (6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-quinolin-4-ylmethanone?
The canonical SMILES for (6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-quinolin-4-ylmethanone is CN1CC2(C1)CN(C(=O)c1ccnc3ccccc13)C2.
What is the InChIKey of (6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-quinolin-4-ylmethanone?
The InChIKey is AZVXROMHCAKQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-18-8-16(9-18)10-19(11-16)15(20)13-6-7-17-14-5-3-2-4-12(13)14/h2-7H,8-11H2,1H3.
What are the key properties of (6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-quinolin-4-ylmethanone?
(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-quinolin-4-ylmethanone has a molecular weight of 267.33 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-quinolin-4-ylmethanone is sourced from PubChem (CID 154566115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).