8-chloro-2-[(1-methylpyrazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline

C15H12ClN5 — CID 126712421

IUPAC8-chloro-2-[(1-methylpyrazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline
SMILESCn1ccc(Cc2nc3c(cnc4ccc(Cl)cc43)[nH]2)n1
InChIInChI=1S/C15H12ClN5/c1-21-5-4-10(20-21)7-14-18-13-8-17-12-3-2-9(16)6-11(12)15(13)19-14/h2-6,8H,7H2,1H3,(H,18,19)
InChIKeyBOJVOOUVFSAHTL-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.09
Rot. Bonds2

About 8-chloro-2-[(1-methylpyrazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline

8-chloro-2-[(1-methylpyrazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline (PubChem CID 126712421) has the molecular formula C15H12ClN5 and a molecular weight of 297.75 g/mol. Its IUPAC name is 8-chloro-2-[(1-methylpyrazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name8-chloro-2-[(1-methylpyrazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline
PubChem CID126712421
Molecular FormulaC15H12ClN5
Molecular Weight297.75 g/mol
Exact Mass297.08
IUPAC Name8-chloro-2-[(1-methylpyrazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline
SMILESCn1ccc(Cc2nc3c(cnc4ccc(Cl)cc43)[nH]2)n1
InChIInChI=1S/C15H12ClN5/c1-21-5-4-10(20-21)7-14-18-13-8-17-12-3-2-9(16)6-11(12)15(13)19-14/h2-6,8H,7H2,1H3,(H,18,19)
InChIKeyBOJVOOUVFSAHTL-UHFFFAOYSA-N
XLogP3.09
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-[(1-methylpyrazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline?
The IUPAC name of 8-chloro-2-[(1-methylpyrazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline (CID 126712421) is 8-chloro-2-[(1-methylpyrazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline.
What is the SMILES notation for 8-chloro-2-[(1-methylpyrazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline?
The canonical SMILES for 8-chloro-2-[(1-methylpyrazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline is Cn1ccc(Cc2nc3c(cnc4ccc(Cl)cc43)[nH]2)n1.
What is the InChIKey of 8-chloro-2-[(1-methylpyrazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline?
The InChIKey is BOJVOOUVFSAHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5/c1-21-5-4-10(20-21)7-14-18-13-8-17-12-3-2-9(16)6-11(12)15(13)19-14/h2-6,8H,7H2,1H3,(H,18,19).
What are the key properties of 8-chloro-2-[(1-methylpyrazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline?
8-chloro-2-[(1-methylpyrazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline has a molecular weight of 297.75 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-[(1-methylpyrazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline is sourced from PubChem (CID 126712421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).