1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline

C17H20ClN3 — CID 80980277

IUPAC1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline
SMILESCCCc1nc(Cl)c(C)c(N2CCCc3ccccc32)n1
InChIInChI=1S/C17H20ClN3/c1-3-7-15-19-16(18)12(2)17(20-15)21-11-6-9-13-8-4-5-10-14(13)21/h4-5,8,10H,3,6-7,9,11H2,1-2H3
InChIKeyYPEPFDZVVQOJGX-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.48
Rot. Bonds3

About 1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline

1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline (PubChem CID 80980277) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is 1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline
PubChem CID80980277
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC Name1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline
SMILESCCCc1nc(Cl)c(C)c(N2CCCc3ccccc32)n1
InChIInChI=1S/C17H20ClN3/c1-3-7-15-19-16(18)12(2)17(20-15)21-11-6-9-13-8-4-5-10-14(13)21/h4-5,8,10H,3,6-7,9,11H2,1-2H3
InChIKeyYPEPFDZVVQOJGX-UHFFFAOYSA-N
XLogP4.48
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline (CID 80980277) is 1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline is CCCc1nc(Cl)c(C)c(N2CCCc3ccccc32)n1.
What is the InChIKey of 1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline?
The InChIKey is YPEPFDZVVQOJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3/c1-3-7-15-19-16(18)12(2)17(20-15)21-11-6-9-13-8-4-5-10-14(13)21/h4-5,8,10H,3,6-7,9,11H2,1-2H3.
What are the key properties of 1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline?
1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline has a molecular weight of 301.82 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 80980277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).