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

C17H18ClN3 — CID 80946353

IUPAC1-(6-chloro-2-cyclopropylpyrimidin-4-yl)-6-methyl-3,4-dihydro-2H-quinoline
SMILESCc1ccc2c(c1)CCCN2c1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C17H18ClN3/c1-11-4-7-14-13(9-11)3-2-8-21(14)16-10-15(18)19-17(20-16)12-5-6-12/h4,7,9-10,12H,2-3,5-6,8H2,1H3
InChIKeyVAFKKKXSQIXXCB-UHFFFAOYSA-N
MW299.81 g/mol
LogP4.40
Rot. Bonds2

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

1-(6-chloro-2-cyclopropylpyrimidin-4-yl)-6-methyl-3,4-dihydro-2H-quinoline (PubChem CID 80946353) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 1-(6-chloro-2-cyclopropylpyrimidin-4-yl)-6-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(6-chloro-2-cyclopropylpyrimidin-4-yl)-6-methyl-3,4-dihydro-2H-quinoline
PubChem CID80946353
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name1-(6-chloro-2-cyclopropylpyrimidin-4-yl)-6-methyl-3,4-dihydro-2H-quinoline
SMILESCc1ccc2c(c1)CCCN2c1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C17H18ClN3/c1-11-4-7-14-13(9-11)3-2-8-21(14)16-10-15(18)19-17(20-16)12-5-6-12/h4,7,9-10,12H,2-3,5-6,8H2,1H3
InChIKeyVAFKKKXSQIXXCB-UHFFFAOYSA-N
XLogP4.40
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 54.40
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-cyclopropylpyrimidin-4-yl)-6-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(6-chloro-2-cyclopropylpyrimidin-4-yl)-6-methyl-3,4-dihydro-2H-quinoline (CID 80946353) is 1-(6-chloro-2-cyclopropylpyrimidin-4-yl)-6-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(6-chloro-2-cyclopropylpyrimidin-4-yl)-6-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(6-chloro-2-cyclopropylpyrimidin-4-yl)-6-methyl-3,4-dihydro-2H-quinoline is Cc1ccc2c(c1)CCCN2c1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of 1-(6-chloro-2-cyclopropylpyrimidin-4-yl)-6-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is VAFKKKXSQIXXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c1-11-4-7-14-13(9-11)3-2-8-21(14)16-10-15(18)19-17(20-16)12-5-6-12/h4,7,9-10,12H,2-3,5-6,8H2,1H3.
What are the key properties of 1-(6-chloro-2-cyclopropylpyrimidin-4-yl)-6-methyl-3,4-dihydro-2H-quinoline?
1-(6-chloro-2-cyclopropylpyrimidin-4-yl)-6-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 299.81 g/mol, XLogP of 4.40, 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-cyclopropylpyrimidin-4-yl)-6-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 80946353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).