3,4-dihydro-2H-quinolin-1-yl-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone

C19H21N7O — CID 90557715

IUPAC3,4-dihydro-2H-quinolin-1-yl-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone
SMILESCCn1nnc2c(N3CC(C(=O)N4CCCc5ccccc54)C3)ncnc21
InChIInChI=1S/C19H21N7O/c1-2-26-18-16(22-23-26)17(20-12-21-18)24-10-14(11-24)19(27)25-9-5-7-13-6-3-4-8-15(13)25/h3-4,6,8,12,14H,2,5,7,9-11H2,1H3
InChIKeyBIOBGVIDUACGBV-UHFFFAOYSA-N
MW363.43 g/mol
LogP1.66
Rot. Bonds3

About 3,4-dihydro-2H-quinolin-1-yl-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone

3,4-dihydro-2H-quinolin-1-yl-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone (PubChem CID 90557715) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone
PubChem CID90557715
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone
SMILESCCn1nnc2c(N3CC(C(=O)N4CCCc5ccccc54)C3)ncnc21
InChIInChI=1S/C19H21N7O/c1-2-26-18-16(22-23-26)17(20-12-21-18)24-10-14(11-24)19(27)25-9-5-7-13-6-3-4-8-15(13)25/h3-4,6,8,12,14H,2,5,7,9-11H2,1H3
InChIKeyBIOBGVIDUACGBV-UHFFFAOYSA-N
XLogP1.66
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone
CID 90557647
1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-propan-2-ylazetidine-3-carboxamide
CID 72717262
7-(azepan-1-yl)-3-ethyltriazolo[4,5-d]pyrimidine
CID 7584315
1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide
CID 90557703
3,4-dihydro-2H-quinolin-1-yl-[1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidin-4-yl]methanone
CID 20912573
1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-(2-phenoxyphenyl)azetidine-3-carboxamide
CID 90557797
3-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
CID 139695348
3-ethyl-7-[(2S)-2-methylpiperidin-1-yl]triazolo[4,5-d]pyrimidine
CID 7584319
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylpyrrolidin-2-one
CID 47166895
N-[2-(cyclohexen-1-yl)ethyl]-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557692
[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 90604006
3,4-dihydro-2H-quinolin-1-yl-[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]methanone
CID 121127918

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone (CID 90557715) is 3,4-dihydro-2H-quinolin-1-yl-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone is CCn1nnc2c(N3CC(C(=O)N4CCCc5ccccc54)C3)ncnc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone?
The InChIKey is BIOBGVIDUACGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-2-26-18-16(22-23-26)17(20-12-21-18)24-10-14(11-24)19(27)25-9-5-7-13-6-3-4-8-15(13)25/h3-4,6,8,12,14H,2,5,7,9-11H2,1H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone has a molecular weight of 363.43 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone is sourced from PubChem (CID 90557715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).