bis(2-(pyridin-2-ylmethoxy)-4-pyrimidin-5-yl-5,6,7,8-tetrahydroquinoline);hydrochloride

C38H37ClN8O2 — CID 162242010

IUPACbis(2-(pyridin-2-ylmethoxy)-4-pyrimidin-5-yl-5,6,7,8-tetrahydroquinoline);hydrochloride
SMILESCl.c1ccc(COc2cc(-c3cncnc3)c3c(n2)CCCC3)nc1.c1ccc(COc2cc(-c3cncnc3)c3c(n2)CCCC3)nc1
InChIInChI=1S/2C19H18N4O.ClH/c2*1-2-7-18-16(6-1)17(14-10-20-13-21-11-14)9-19(23-18)24-12-15-5-3-4-8-22-15;/h2*3-5,8-11,13H,1-2,6-7,12H2;1H
InChIKeyZWVFHJRVYLCVDV-UHFFFAOYSA-N
MW673.22 g/mol
LogP7.20
Rot. Bonds8

About bis(2-(pyridin-2-ylmethoxy)-4-pyrimidin-5-yl-5,6,7,8-tetrahydroquinoline);hydrochloride

bis(2-(pyridin-2-ylmethoxy)-4-pyrimidin-5-yl-5,6,7,8-tetrahydroquinoline);hydrochloride (PubChem CID 162242010) has the molecular formula C38H37ClN8O2 and a molecular weight of 673.22 g/mol. Its IUPAC name is bis(2-(pyridin-2-ylmethoxy)-4-pyrimidin-5-yl-5,6,7,8-tetrahydroquinoline);hydrochloride.

Molecular Properties

Compound Namebis(2-(pyridin-2-ylmethoxy)-4-pyrimidin-5-yl-5,6,7,8-tetrahydroquinoline);hydrochloride
PubChem CID162242010
Molecular FormulaC38H37ClN8O2
Molecular Weight673.22 g/mol
Exact Mass672.27
IUPAC Namebis(2-(pyridin-2-ylmethoxy)-4-pyrimidin-5-yl-5,6,7,8-tetrahydroquinoline);hydrochloride
SMILESCl.c1ccc(COc2cc(-c3cncnc3)c3c(n2)CCCC3)nc1.c1ccc(COc2cc(-c3cncnc3)c3c(n2)CCCC3)nc1
InChIInChI=1S/2C19H18N4O.ClH/c2*1-2-7-18-16(6-1)17(14-10-20-13-21-11-14)9-19(23-18)24-12-15-5-3-4-8-22-15;/h2*3-5,8-11,13H,1-2,6-7,12H2;1H
InChIKeyZWVFHJRVYLCVDV-UHFFFAOYSA-N
XLogP7.20
TPSA121.58 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.22
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

4-(2-fluoropyrimidin-5-yl)-2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 118205364
5-[2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]pyrimidine-2-carbonitrile;hydrochloride
CID 118205309
5-[2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinolin-4-yl]pyrimidine-4-carbonitrile
CID 118205414
4-(2-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline;hydrochloride
CID 118290518
4-pyridazin-3-yl-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline
CID 73336054
4-(2-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline
CID 118205251
3-[2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinolin-4-yl]pyrazine-2-carbonitrile;hydrochloride
CID 118205334
4-(2-fluoro-5-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline
CID 118205297
2-methoxy-4-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline
CID 156783281
2-chloro-4-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline
CID 118205484
3-[[4-(2-methylpyrimidin-5-yl)-5,6,7,8-tetrahydroquinolin-2-yl]oxymethyl]benzonitrile
CID 73336049
2-[(3,5-difluoro-2-pyridinyl)methoxy]-4-(2-methylpyrimidin-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 73334972

Frequently Asked Questions

What is the IUPAC name of bis(2-(pyridin-2-ylmethoxy)-4-pyrimidin-5-yl-5,6,7,8-tetrahydroquinoline);hydrochloride?
The IUPAC name of bis(2-(pyridin-2-ylmethoxy)-4-pyrimidin-5-yl-5,6,7,8-tetrahydroquinoline);hydrochloride (CID 162242010) is bis(2-(pyridin-2-ylmethoxy)-4-pyrimidin-5-yl-5,6,7,8-tetrahydroquinoline);hydrochloride.
What is the SMILES notation for bis(2-(pyridin-2-ylmethoxy)-4-pyrimidin-5-yl-5,6,7,8-tetrahydroquinoline);hydrochloride?
The canonical SMILES for bis(2-(pyridin-2-ylmethoxy)-4-pyrimidin-5-yl-5,6,7,8-tetrahydroquinoline);hydrochloride is Cl.c1ccc(COc2cc(-c3cncnc3)c3c(n2)CCCC3)nc1.c1ccc(COc2cc(-c3cncnc3)c3c(n2)CCCC3)nc1.
What is the InChIKey of bis(2-(pyridin-2-ylmethoxy)-4-pyrimidin-5-yl-5,6,7,8-tetrahydroquinoline);hydrochloride?
The InChIKey is ZWVFHJRVYLCVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H18N4O.ClH/c2*1-2-7-18-16(6-1)17(14-10-20-13-21-11-14)9-19(23-18)24-12-15-5-3-4-8-22-15;/h2*3-5,8-11,13H,1-2,6-7,12H2;1H.
What are the key properties of bis(2-(pyridin-2-ylmethoxy)-4-pyrimidin-5-yl-5,6,7,8-tetrahydroquinoline);hydrochloride?
bis(2-(pyridin-2-ylmethoxy)-4-pyrimidin-5-yl-5,6,7,8-tetrahydroquinoline);hydrochloride has a molecular weight of 673.22 g/mol, XLogP of 7.20, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(pyridin-2-ylmethoxy)-4-pyrimidin-5-yl-5,6,7,8-tetrahydroquinoline);hydrochloride is sourced from PubChem (CID 162242010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).