6-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-1-methyl-3,4-dihydro-2H-quinoline

C17H20ClN3 — CID 62096137

IUPAC6-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-1-methyl-3,4-dihydro-2H-quinoline
SMILESCC(C)c1cc(Cl)nc(-c2ccc3c(c2)CCCN3C)n1
InChIInChI=1S/C17H20ClN3/c1-11(2)14-10-16(18)20-17(19-14)13-6-7-15-12(9-13)5-4-8-21(15)3/h6-7,9-11H,4-5,8H2,1-3H3
InChIKeyNPXWBFFEBRGDIM-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.30
Rot. Bonds2

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

6-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-1-methyl-3,4-dihydro-2H-quinoline (PubChem CID 62096137) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is 6-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-1-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name6-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-1-methyl-3,4-dihydro-2H-quinoline
PubChem CID62096137
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC Name6-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-1-methyl-3,4-dihydro-2H-quinoline
SMILESCC(C)c1cc(Cl)nc(-c2ccc3c(c2)CCCN3C)n1
InChIInChI=1S/C17H20ClN3/c1-11(2)14-10-16(18)20-17(19-14)13-6-7-15-12(9-13)5-4-8-21(15)3/h6-7,9-11H,4-5,8H2,1-3H3
InChIKeyNPXWBFFEBRGDIM-UHFFFAOYSA-N
XLogP4.30
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-1-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 6-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-1-methyl-3,4-dihydro-2H-quinoline (CID 62096137) is 6-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-1-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 6-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-1-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 6-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-1-methyl-3,4-dihydro-2H-quinoline is CC(C)c1cc(Cl)nc(-c2ccc3c(c2)CCCN3C)n1.
What is the InChIKey of 6-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-1-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is NPXWBFFEBRGDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3/c1-11(2)14-10-16(18)20-17(19-14)13-6-7-15-12(9-13)5-4-8-21(15)3/h6-7,9-11H,4-5,8H2,1-3H3.
What are the key properties of 6-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-1-methyl-3,4-dihydro-2H-quinoline?
6-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-1-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 301.82 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-1-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 62096137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).