1-(2-methoxyethyl)-7,7-dimethyl-3-(pyridin-3-ylmethyl)-2,4,6,8-tetrahydroquinazolin-5-one;hydrochloride

C19H28ClN3O2 — CID 21233565

IUPAC1-(2-methoxyethyl)-7,7-dimethyl-3-(pyridin-3-ylmethyl)-2,4,6,8-tetrahydroquinazolin-5-one;hydrochloride
SMILESCOCCN1CN(Cc2cccnc2)CC2=C1CC(C)(C)CC2=O.Cl
InChIInChI=1S/C19H27N3O2.ClH/c1-19(2)9-17-16(18(23)10-19)13-21(14-22(17)7-8-24-3)12-15-5-4-6-20-11-15;/h4-6,11H,7-10,12-14H2,1-3H3;1H
InChIKeyOFQZWADAXSUWBA-UHFFFAOYSA-N
MW365.91 g/mol
LogP2.87
Rot. Bonds5

About 1-(2-methoxyethyl)-7,7-dimethyl-3-(pyridin-3-ylmethyl)-2,4,6,8-tetrahydroquinazolin-5-one;hydrochloride

1-(2-methoxyethyl)-7,7-dimethyl-3-(pyridin-3-ylmethyl)-2,4,6,8-tetrahydroquinazolin-5-one;hydrochloride (PubChem CID 21233565) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-7,7-dimethyl-3-(pyridin-3-ylmethyl)-2,4,6,8-tetrahydroquinazolin-5-one;hydrochloride.

Molecular Properties

Compound Name1-(2-methoxyethyl)-7,7-dimethyl-3-(pyridin-3-ylmethyl)-2,4,6,8-tetrahydroquinazolin-5-one;hydrochloride
PubChem CID21233565
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name1-(2-methoxyethyl)-7,7-dimethyl-3-(pyridin-3-ylmethyl)-2,4,6,8-tetrahydroquinazolin-5-one;hydrochloride
SMILESCOCCN1CN(Cc2cccnc2)CC2=C1CC(C)(C)CC2=O.Cl
InChIInChI=1S/C19H27N3O2.ClH/c1-19(2)9-17-16(18(23)10-19)13-21(14-22(17)7-8-24-3)12-15-5-4-6-20-11-15;/h4-6,11H,7-10,12-14H2,1-3H3;1H
InChIKeyOFQZWADAXSUWBA-UHFFFAOYSA-N
XLogP2.87
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-methoxyethyl)-7,7-dimethyl-3-(pyridin-3-ylmethyl)-2,4,6,8-tetrahydroquinazolin-5-one;hydrochloride with MolForge

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Related Compounds

3-benzyl-1-(2-methoxyethyl)-7-phenyl-4,6,7,8-tetrahydro-2H-quinazolin-5-one
CID 4886379
(5S)-2-(2-methoxyethyl)-9-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97489875
N-[(3S)-6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide
CID 40783262
6,6-dimethyl-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydroindol-4-one
CID 50741940
1-(2-methoxyethyl)-8-(2-methylpropyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26141284
N-[6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4,5-trimethoxybenzamide
CID 46500732
2-(2-methoxyethoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 103606916
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
(4aR,7aS)-1-(2-methoxyethyl)-4-(pyridin-3-ylmethyl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70742901
(7R)-7-(methoxymethyl)-1-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 97382834
2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 46684654
2-(2-methoxyethyl)-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide
CID 5308909

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-7,7-dimethyl-3-(pyridin-3-ylmethyl)-2,4,6,8-tetrahydroquinazolin-5-one;hydrochloride?
The IUPAC name of 1-(2-methoxyethyl)-7,7-dimethyl-3-(pyridin-3-ylmethyl)-2,4,6,8-tetrahydroquinazolin-5-one;hydrochloride (CID 21233565) is 1-(2-methoxyethyl)-7,7-dimethyl-3-(pyridin-3-ylmethyl)-2,4,6,8-tetrahydroquinazolin-5-one;hydrochloride.
What is the SMILES notation for 1-(2-methoxyethyl)-7,7-dimethyl-3-(pyridin-3-ylmethyl)-2,4,6,8-tetrahydroquinazolin-5-one;hydrochloride?
The canonical SMILES for 1-(2-methoxyethyl)-7,7-dimethyl-3-(pyridin-3-ylmethyl)-2,4,6,8-tetrahydroquinazolin-5-one;hydrochloride is COCCN1CN(Cc2cccnc2)CC2=C1CC(C)(C)CC2=O.Cl.
What is the InChIKey of 1-(2-methoxyethyl)-7,7-dimethyl-3-(pyridin-3-ylmethyl)-2,4,6,8-tetrahydroquinazolin-5-one;hydrochloride?
The InChIKey is OFQZWADAXSUWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2.ClH/c1-19(2)9-17-16(18(23)10-19)13-21(14-22(17)7-8-24-3)12-15-5-4-6-20-11-15;/h4-6,11H,7-10,12-14H2,1-3H3;1H.
What are the key properties of 1-(2-methoxyethyl)-7,7-dimethyl-3-(pyridin-3-ylmethyl)-2,4,6,8-tetrahydroquinazolin-5-one;hydrochloride?
1-(2-methoxyethyl)-7,7-dimethyl-3-(pyridin-3-ylmethyl)-2,4,6,8-tetrahydroquinazolin-5-one;hydrochloride has a molecular weight of 365.91 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-7,7-dimethyl-3-(pyridin-3-ylmethyl)-2,4,6,8-tetrahydroquinazolin-5-one;hydrochloride is sourced from PubChem (CID 21233565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).