2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)methyl]quinoline

C17H16ClN3 — CID 80947388

IUPAC2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)methyl]quinoline
SMILESCC(C)c1nc(Cl)cc(Cc2ccc3ccccc3n2)n1
InChIInChI=1S/C17H16ClN3/c1-11(2)17-20-14(10-16(18)21-17)9-13-8-7-12-5-3-4-6-15(12)19-13/h3-8,10-11H,9H2,1-2H3
InChIKeyGPFRKGUJRKXFKU-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.39
Rot. Bonds3

About 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)methyl]quinoline

2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)methyl]quinoline (PubChem CID 80947388) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)methyl]quinoline.

Molecular Properties

Compound Name2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)methyl]quinoline
PubChem CID80947388
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)methyl]quinoline
SMILESCC(C)c1nc(Cl)cc(Cc2ccc3ccccc3n2)n1
InChIInChI=1S/C17H16ClN3/c1-11(2)17-20-14(10-16(18)21-17)9-13-8-7-12-5-3-4-6-15(12)19-13/h3-8,10-11H,9H2,1-2H3
InChIKeyGPFRKGUJRKXFKU-UHFFFAOYSA-N
XLogP4.39
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-2-(quinolin-2-ylmethyl)quinoline
CID 146200056
2-[(3-methylphenyl)methyl]quinoline
CID 91665483
[5-chloro-2-(quinolin-2-ylmethyl)phenyl]methanamine
CID 66159539
4-chloro-6-naphthalen-2-yloxy-2-propan-2-ylpyrimidine
CID 80944180
N-propan-2-yl-N-(quinolin-2-ylmethyl)propan-2-amine
CID 20687195
3-chloro-4-(quinolin-2-ylmethyl)aniline
CID 107615850
CID 89210421
CID 89210421
2-(1-chloroethyl)quinoline
CID 14750485
cadmium(2+);chloroform;N,N,N',N'-tetrakis(quinolin-2-ylmethyl)ethane-1,2-diamine;diperchlorate
CID 139160361
2-(quinolin-2-ylmethyl)-1,3-benzoxazole
CID 163990479
2-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 28774774
2-(iodomethyl)quinoline
CID 19432604

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)methyl]quinoline?
The IUPAC name of 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)methyl]quinoline (CID 80947388) is 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)methyl]quinoline.
What is the SMILES notation for 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)methyl]quinoline?
The canonical SMILES for 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)methyl]quinoline is CC(C)c1nc(Cl)cc(Cc2ccc3ccccc3n2)n1.
What is the InChIKey of 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)methyl]quinoline?
The InChIKey is GPFRKGUJRKXFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-11(2)17-20-14(10-16(18)21-17)9-13-8-7-12-5-3-4-6-15(12)19-13/h3-8,10-11H,9H2,1-2H3.
What are the key properties of 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)methyl]quinoline?
2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)methyl]quinoline has a molecular weight of 297.79 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)methyl]quinoline is sourced from PubChem (CID 80947388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).