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

C15H16ClN3 — CID 62477779

IUPAC1-(2-chloro-6-methylpyrimidin-4-yl)-2-methyl-3,4-dihydro-2H-quinoline
SMILESCc1cc(N2c3ccccc3CCC2C)nc(Cl)n1
InChIInChI=1S/C15H16ClN3/c1-10-9-14(18-15(16)17-10)19-11(2)7-8-12-5-3-4-6-13(12)19/h3-6,9,11H,7-8H2,1-2H3
InChIKeyQRKSFTVLLYLILD-UHFFFAOYSA-N
MW273.77 g/mol
LogP3.91
Rot. Bonds1

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

1-(2-chloro-6-methylpyrimidin-4-yl)-2-methyl-3,4-dihydro-2H-quinoline (PubChem CID 62477779) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is 1-(2-chloro-6-methylpyrimidin-4-yl)-2-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(2-chloro-6-methylpyrimidin-4-yl)-2-methyl-3,4-dihydro-2H-quinoline
PubChem CID62477779
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC Name1-(2-chloro-6-methylpyrimidin-4-yl)-2-methyl-3,4-dihydro-2H-quinoline
SMILESCc1cc(N2c3ccccc3CCC2C)nc(Cl)n1
InChIInChI=1S/C15H16ClN3/c1-10-9-14(18-15(16)17-10)19-11(2)7-8-12-5-3-4-6-13(12)19/h3-6,9,11H,7-8H2,1-2H3
InChIKeyQRKSFTVLLYLILD-UHFFFAOYSA-N
XLogP3.91
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methylpyrimidin-4-yl)-2-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(2-chloro-6-methylpyrimidin-4-yl)-2-methyl-3,4-dihydro-2H-quinoline (CID 62477779) is 1-(2-chloro-6-methylpyrimidin-4-yl)-2-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(2-chloro-6-methylpyrimidin-4-yl)-2-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(2-chloro-6-methylpyrimidin-4-yl)-2-methyl-3,4-dihydro-2H-quinoline is Cc1cc(N2c3ccccc3CCC2C)nc(Cl)n1.
What is the InChIKey of 1-(2-chloro-6-methylpyrimidin-4-yl)-2-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is QRKSFTVLLYLILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3/c1-10-9-14(18-15(16)17-10)19-11(2)7-8-12-5-3-4-6-13(12)19/h3-6,9,11H,7-8H2,1-2H3.
What are the key properties of 1-(2-chloro-6-methylpyrimidin-4-yl)-2-methyl-3,4-dihydro-2H-quinoline?
1-(2-chloro-6-methylpyrimidin-4-yl)-2-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 273.77 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methylpyrimidin-4-yl)-2-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 62477779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).