7-[3-(1H-pyrazol-4-yl)-2-pyridinyl]quinoline

C17H12N4 — CID 137374004

IUPAC7-[3-(1H-pyrazol-4-yl)-2-pyridinyl]quinoline
SMILESc1cnc(-c2ccc3cccnc3c2)c(-c2cn[nH]c2)c1
InChIInChI=1S/C17H12N4/c1-3-12-5-6-13(9-16(12)18-7-1)17-15(4-2-8-19-17)14-10-20-21-11-14/h1-11H,(H,20,21)
InChIKeyZLTMVWCGNDOJIE-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.69
Rot. Bonds2

About 7-[3-(1H-pyrazol-4-yl)-2-pyridinyl]quinoline

7-[3-(1H-pyrazol-4-yl)-2-pyridinyl]quinoline (PubChem CID 137374004) has the molecular formula C17H12N4 and a molecular weight of 272.31 g/mol. Its IUPAC name is 7-[3-(1H-pyrazol-4-yl)-2-pyridinyl]quinoline.

Molecular Properties

Compound Name7-[3-(1H-pyrazol-4-yl)-2-pyridinyl]quinoline
PubChem CID137374004
Molecular FormulaC17H12N4
Molecular Weight272.31 g/mol
Exact Mass272.11
IUPAC Name7-[3-(1H-pyrazol-4-yl)-2-pyridinyl]quinoline
SMILESc1cnc(-c2ccc3cccnc3c2)c(-c2cn[nH]c2)c1
InChIInChI=1S/C17H12N4/c1-3-12-5-6-13(9-16(12)18-7-1)17-15(4-2-8-19-17)14-10-20-21-11-14/h1-11H,(H,20,21)
InChIKeyZLTMVWCGNDOJIE-UHFFFAOYSA-N
XLogP3.69
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-pyridinyl]quinoline
CID 137374115
N-(1H-pyrazol-4-ylmethyl)-1-quinolin-7-ylmethanamine
CID 166323588
7-(2-chloro-5-methylpyrimidin-4-yl)quinoline
CID 81221493
5-fluoro-4-quinolin-7-ylpyrimidin-2-amine
CID 81221984
7-(10-quinolin-7-ylanthracen-9-yl)quinoline
CID 167164576
4-anthracen-1-yl-1H-pyrazole
CID 91120049
4-quinolin-7-yl-2H-phthalazin-1-one
CID 106519755
7-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]quinoline
CID 118372291
3-[3-(1H-indazol-5-yl)-2-pyridinyl]phenol
CID 90095596
4-fluoro-3-quinolin-7-ylbenzaldehyde
CID 81224437
4-methyl-3-quinolin-7-ylbenzaldehyde
CID 105408212
5-fluoro-2-quinolin-7-ylaniline
CID 107626733

Frequently Asked Questions

What is the IUPAC name of 7-[3-(1H-pyrazol-4-yl)-2-pyridinyl]quinoline?
The IUPAC name of 7-[3-(1H-pyrazol-4-yl)-2-pyridinyl]quinoline (CID 137374004) is 7-[3-(1H-pyrazol-4-yl)-2-pyridinyl]quinoline.
What is the SMILES notation for 7-[3-(1H-pyrazol-4-yl)-2-pyridinyl]quinoline?
The canonical SMILES for 7-[3-(1H-pyrazol-4-yl)-2-pyridinyl]quinoline is c1cnc(-c2ccc3cccnc3c2)c(-c2cn[nH]c2)c1.
What is the InChIKey of 7-[3-(1H-pyrazol-4-yl)-2-pyridinyl]quinoline?
The InChIKey is ZLTMVWCGNDOJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4/c1-3-12-5-6-13(9-16(12)18-7-1)17-15(4-2-8-19-17)14-10-20-21-11-14/h1-11H,(H,20,21).
What are the key properties of 7-[3-(1H-pyrazol-4-yl)-2-pyridinyl]quinoline?
7-[3-(1H-pyrazol-4-yl)-2-pyridinyl]quinoline has a molecular weight of 272.31 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(1H-pyrazol-4-yl)-2-pyridinyl]quinoline is sourced from PubChem (CID 137374004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).