5-(3-ethylimidazo[4,5-b]pyridin-2-yl)-1,2,3,4-tetrahydroquinoline

C17H18N4 — CID 63757641

IUPAC5-(3-ethylimidazo[4,5-b]pyridin-2-yl)-1,2,3,4-tetrahydroquinoline
SMILESCCn1c(-c2cccc3c2CCCN3)nc2cccnc21
InChIInChI=1S/C17H18N4/c1-2-21-16(20-15-9-5-11-19-17(15)21)13-6-3-8-14-12(13)7-4-10-18-14/h3,5-6,8-9,11,18H,2,4,7,10H2,1H3
InChIKeyUOYDPRCRGVAXOD-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.48
Rot. Bonds2

About 5-(3-ethylimidazo[4,5-b]pyridin-2-yl)-1,2,3,4-tetrahydroquinoline

5-(3-ethylimidazo[4,5-b]pyridin-2-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 63757641) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-(3-ethylimidazo[4,5-b]pyridin-2-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-(3-ethylimidazo[4,5-b]pyridin-2-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID63757641
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name5-(3-ethylimidazo[4,5-b]pyridin-2-yl)-1,2,3,4-tetrahydroquinoline
SMILESCCn1c(-c2cccc3c2CCCN3)nc2cccnc21
InChIInChI=1S/C17H18N4/c1-2-21-16(20-15-9-5-11-19-17(15)21)13-6-3-8-14-12(13)7-4-10-18-14/h3,5-6,8-9,11,18H,2,4,7,10H2,1H3
InChIKeyUOYDPRCRGVAXOD-UHFFFAOYSA-N
XLogP3.48
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 55111278
2-(1,2,3,4-tetrahydroquinolin-5-yl)-[1,3]thiazolo[5,4-b]pyridine
CID 65335790
3-ethyl-2-methylimidazo[4,5-b]pyridine
CID 23298284
3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2,5,6-trifluorophenol
CID 63757477
5-(4-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 62694495
2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-5-fluorophenol
CID 136789710
3-(3-ethylimidazo[4,5-b]pyridin-2-yl)phenol
CID 63757136
4-bromo-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)aniline
CID 115296275
3-chloro-4-(3-ethylimidazo[4,5-b]pyridin-2-yl)aniline
CID 55241902
5-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2-methylaniline
CID 63758337
2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-5-methoxyaniline
CID 115411353
2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-4-methoxyaniline
CID 115411352

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylimidazo[4,5-b]pyridin-2-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-(3-ethylimidazo[4,5-b]pyridin-2-yl)-1,2,3,4-tetrahydroquinoline (CID 63757641) is 5-(3-ethylimidazo[4,5-b]pyridin-2-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-(3-ethylimidazo[4,5-b]pyridin-2-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-(3-ethylimidazo[4,5-b]pyridin-2-yl)-1,2,3,4-tetrahydroquinoline is CCn1c(-c2cccc3c2CCCN3)nc2cccnc21.
What is the InChIKey of 5-(3-ethylimidazo[4,5-b]pyridin-2-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is UOYDPRCRGVAXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-2-21-16(20-15-9-5-11-19-17(15)21)13-6-3-8-14-12(13)7-4-10-18-14/h3,5-6,8-9,11,18H,2,4,7,10H2,1H3.
What are the key properties of 5-(3-ethylimidazo[4,5-b]pyridin-2-yl)-1,2,3,4-tetrahydroquinoline?
5-(3-ethylimidazo[4,5-b]pyridin-2-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 278.36 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylimidazo[4,5-b]pyridin-2-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 63757641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).