4-[(4R)-5-[(1-propylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]quinoline

C22H24N6 — CID 95197850

IUPAC4-[(4R)-5-[(1-propylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]quinoline
SMILESCCCn1ccnc1CN1CCc2[nH]cnc2[C@H]1c1ccnc2ccccc12
InChIInChI=1S/C22H24N6/c1-2-11-27-13-10-24-20(27)14-28-12-8-19-21(26-15-25-19)22(28)17-7-9-23-18-6-4-3-5-16(17)18/h3-7,9-10,13,15,22H,2,8,11-12,14H2,1H3,(H,25,26)/t22-/m1/s1
InChIKeyDWQHEUMBWCQMNF-JOCHJYFZSA-N
MW372.48 g/mol
LogP3.71
Rot. Bonds5

About 4-[(4R)-5-[(1-propylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]quinoline

4-[(4R)-5-[(1-propylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]quinoline (PubChem CID 95197850) has the molecular formula C22H24N6 and a molecular weight of 372.48 g/mol. Its IUPAC name is 4-[(4R)-5-[(1-propylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]quinoline.

Molecular Properties

Compound Name4-[(4R)-5-[(1-propylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]quinoline
PubChem CID95197850
Molecular FormulaC22H24N6
Molecular Weight372.48 g/mol
Exact Mass372.21
IUPAC Name4-[(4R)-5-[(1-propylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]quinoline
SMILESCCCn1ccnc1CN1CCc2[nH]cnc2[C@H]1c1ccnc2ccccc12
InChIInChI=1S/C22H24N6/c1-2-11-27-13-10-24-20(27)14-28-12-8-19-21(26-15-25-19)22(28)17-7-9-23-18-6-4-3-5-16(17)18/h3-7,9-10,13,15,22H,2,8,11-12,14H2,1H3,(H,25,26)/t22-/m1/s1
InChIKeyDWQHEUMBWCQMNF-JOCHJYFZSA-N
XLogP3.71
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4R)-5-[(1-propylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]quinoline?
The IUPAC name of 4-[(4R)-5-[(1-propylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]quinoline (CID 95197850) is 4-[(4R)-5-[(1-propylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]quinoline.
What is the SMILES notation for 4-[(4R)-5-[(1-propylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]quinoline?
The canonical SMILES for 4-[(4R)-5-[(1-propylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]quinoline is CCCn1ccnc1CN1CCc2[nH]cnc2[C@H]1c1ccnc2ccccc12.
What is the InChIKey of 4-[(4R)-5-[(1-propylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]quinoline?
The InChIKey is DWQHEUMBWCQMNF-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H24N6/c1-2-11-27-13-10-24-20(27)14-28-12-8-19-21(26-15-25-19)22(28)17-7-9-23-18-6-4-3-5-16(17)18/h3-7,9-10,13,15,22H,2,8,11-12,14H2,1H3,(H,25,26)/t22-/m1/s1.
What are the key properties of 4-[(4R)-5-[(1-propylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]quinoline?
4-[(4R)-5-[(1-propylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]quinoline has a molecular weight of 372.48 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R)-5-[(1-propylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]quinoline is sourced from PubChem (CID 95197850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).