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

C15H16ClN3 — CID 63735943

IUPAC1-(6-chloro-5-ethylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline
SMILESCCc1c(Cl)ncnc1N1CCCc2ccccc21
InChIInChI=1S/C15H16ClN3/c1-2-12-14(16)17-10-18-15(12)19-9-5-7-11-6-3-4-8-13(11)19/h3-4,6,8,10H,2,5,7,9H2,1H3
InChIKeyJTNNSUHAIHKJBP-UHFFFAOYSA-N
MW273.77 g/mol
LogP3.78
Rot. Bonds2

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

1-(6-chloro-5-ethylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline (PubChem CID 63735943) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is 1-(6-chloro-5-ethylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(6-chloro-5-ethylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline
PubChem CID63735943
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC Name1-(6-chloro-5-ethylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline
SMILESCCc1c(Cl)ncnc1N1CCCc2ccccc21
InChIInChI=1S/C15H16ClN3/c1-2-12-14(16)17-10-18-15(12)19-9-5-7-11-6-3-4-8-13(11)19/h3-4,6,8,10H,2,5,7,9H2,1H3
InChIKeyJTNNSUHAIHKJBP-UHFFFAOYSA-N
XLogP3.78
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 53.78
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-ethylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(6-chloro-5-ethylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline (CID 63735943) is 1-(6-chloro-5-ethylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(6-chloro-5-ethylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(6-chloro-5-ethylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline is CCc1c(Cl)ncnc1N1CCCc2ccccc21.
What is the InChIKey of 1-(6-chloro-5-ethylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline?
The InChIKey is JTNNSUHAIHKJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3/c1-2-12-14(16)17-10-18-15(12)19-9-5-7-11-6-3-4-8-13(11)19/h3-4,6,8,10H,2,5,7,9H2,1H3.
What are the key properties of 1-(6-chloro-5-ethylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline?
1-(6-chloro-5-ethylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline has a molecular weight of 273.77 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-5-ethylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 63735943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).