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

C16H18ClN3 — CID 80935828

IUPAC1-(6-chloro-2-ethylpyrimidin-4-yl)-3-methyl-3,4-dihydro-2H-quinoline
SMILESCCc1nc(Cl)cc(N2CC(C)Cc3ccccc32)n1
InChIInChI=1S/C16H18ClN3/c1-3-15-18-14(17)9-16(19-15)20-10-11(2)8-12-6-4-5-7-13(12)20/h4-7,9,11H,3,8,10H2,1-2H3
InChIKeyGUQQYSQIEBNGID-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.02
Rot. Bonds2

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

1-(6-chloro-2-ethylpyrimidin-4-yl)-3-methyl-3,4-dihydro-2H-quinoline (PubChem CID 80935828) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 1-(6-chloro-2-ethylpyrimidin-4-yl)-3-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(6-chloro-2-ethylpyrimidin-4-yl)-3-methyl-3,4-dihydro-2H-quinoline
PubChem CID80935828
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name1-(6-chloro-2-ethylpyrimidin-4-yl)-3-methyl-3,4-dihydro-2H-quinoline
SMILESCCc1nc(Cl)cc(N2CC(C)Cc3ccccc32)n1
InChIInChI=1S/C16H18ClN3/c1-3-15-18-14(17)9-16(19-15)20-10-11(2)8-12-6-4-5-7-13(12)20/h4-7,9,11H,3,8,10H2,1-2H3
InChIKeyGUQQYSQIEBNGID-UHFFFAOYSA-N
XLogP4.02
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-ethylpyrimidin-4-yl)-3-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(6-chloro-2-ethylpyrimidin-4-yl)-3-methyl-3,4-dihydro-2H-quinoline (CID 80935828) is 1-(6-chloro-2-ethylpyrimidin-4-yl)-3-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(6-chloro-2-ethylpyrimidin-4-yl)-3-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(6-chloro-2-ethylpyrimidin-4-yl)-3-methyl-3,4-dihydro-2H-quinoline is CCc1nc(Cl)cc(N2CC(C)Cc3ccccc32)n1.
What is the InChIKey of 1-(6-chloro-2-ethylpyrimidin-4-yl)-3-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is GUQQYSQIEBNGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3/c1-3-15-18-14(17)9-16(19-15)20-10-11(2)8-12-6-4-5-7-13(12)20/h4-7,9,11H,3,8,10H2,1-2H3.
What are the key properties of 1-(6-chloro-2-ethylpyrimidin-4-yl)-3-methyl-3,4-dihydro-2H-quinoline?
1-(6-chloro-2-ethylpyrimidin-4-yl)-3-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 287.79 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-ethylpyrimidin-4-yl)-3-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 80935828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).