3-methyl-8-(1,4,5,6-tetrahydropyrimidin-2-yl)-5,6,7,8-tetrahydroquinoline;hydrochloride

C14H20ClN3 — CID 90672422

IUPAC3-methyl-8-(1,4,5,6-tetrahydropyrimidin-2-yl)-5,6,7,8-tetrahydroquinoline;hydrochloride
SMILESCc1cnc2c(c1)CCCC2C1=NCCCN1.Cl
InChIInChI=1S/C14H19N3.ClH/c1-10-8-11-4-2-5-12(13(11)17-9-10)14-15-6-3-7-16-14;/h8-9,12H,2-7H2,1H3,(H,15,16);1H
InChIKeyGXCFKAWMRIPXIO-UHFFFAOYSA-N
MW265.79 g/mol
LogP2.62
Rot. Bonds1

About 3-methyl-8-(1,4,5,6-tetrahydropyrimidin-2-yl)-5,6,7,8-tetrahydroquinoline;hydrochloride

3-methyl-8-(1,4,5,6-tetrahydropyrimidin-2-yl)-5,6,7,8-tetrahydroquinoline;hydrochloride (PubChem CID 90672422) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 3-methyl-8-(1,4,5,6-tetrahydropyrimidin-2-yl)-5,6,7,8-tetrahydroquinoline;hydrochloride.

Molecular Properties

Compound Name3-methyl-8-(1,4,5,6-tetrahydropyrimidin-2-yl)-5,6,7,8-tetrahydroquinoline;hydrochloride
PubChem CID90672422
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name3-methyl-8-(1,4,5,6-tetrahydropyrimidin-2-yl)-5,6,7,8-tetrahydroquinoline;hydrochloride
SMILESCc1cnc2c(c1)CCCC2C1=NCCCN1.Cl
InChIInChI=1S/C14H19N3.ClH/c1-10-8-11-4-2-5-12(13(11)17-9-10)14-15-6-3-7-16-14;/h8-9,12H,2-7H2,1H3,(H,15,16);1H
InChIKeyGXCFKAWMRIPXIO-UHFFFAOYSA-N
XLogP2.62
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-8-(1,4,5,6-tetrahydropyrimidin-2-yl)-5,6,7,8-tetrahydroquinoline;hydrochloride with MolForge

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Related Compounds

6-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 45496220
ethane;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole
CID 91000724
3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
CID 142528526
(S)-(4-methylphenyl)-(3-methyl-5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 57168622
2-cyclopentyl-1,4,5,6-tetrahydropyrimidine
CID 130566153
imino(dioxido)azanium;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole
CID 22388703
ethane;3-methyl-5,6,7,8-tetrahydroquinoline
CID 143839109
3-methyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-7-ol
CID 90345823
2-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole;2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole
CID 161447711
1,6-dimethyl-3,4-dihydro-2H-1,8-naphthyridine;ethane
CID 172631854
ethane;6-methyl-1,2,3,4-tetrahydroquinoline
CID 144598135
3-methyl-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one
CID 142820616

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-(1,4,5,6-tetrahydropyrimidin-2-yl)-5,6,7,8-tetrahydroquinoline;hydrochloride?
The IUPAC name of 3-methyl-8-(1,4,5,6-tetrahydropyrimidin-2-yl)-5,6,7,8-tetrahydroquinoline;hydrochloride (CID 90672422) is 3-methyl-8-(1,4,5,6-tetrahydropyrimidin-2-yl)-5,6,7,8-tetrahydroquinoline;hydrochloride.
What is the SMILES notation for 3-methyl-8-(1,4,5,6-tetrahydropyrimidin-2-yl)-5,6,7,8-tetrahydroquinoline;hydrochloride?
The canonical SMILES for 3-methyl-8-(1,4,5,6-tetrahydropyrimidin-2-yl)-5,6,7,8-tetrahydroquinoline;hydrochloride is Cc1cnc2c(c1)CCCC2C1=NCCCN1.Cl.
What is the InChIKey of 3-methyl-8-(1,4,5,6-tetrahydropyrimidin-2-yl)-5,6,7,8-tetrahydroquinoline;hydrochloride?
The InChIKey is GXCFKAWMRIPXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3.ClH/c1-10-8-11-4-2-5-12(13(11)17-9-10)14-15-6-3-7-16-14;/h8-9,12H,2-7H2,1H3,(H,15,16);1H.
What are the key properties of 3-methyl-8-(1,4,5,6-tetrahydropyrimidin-2-yl)-5,6,7,8-tetrahydroquinoline;hydrochloride?
3-methyl-8-(1,4,5,6-tetrahydropyrimidin-2-yl)-5,6,7,8-tetrahydroquinoline;hydrochloride has a molecular weight of 265.79 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-(1,4,5,6-tetrahydropyrimidin-2-yl)-5,6,7,8-tetrahydroquinoline;hydrochloride is sourced from PubChem (CID 90672422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).