2-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-1,2,3,4-tetrahydroquinoline

C19H15Cl2N3 — CID 123835432

IUPAC2-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-1,2,3,4-tetrahydroquinoline
SMILESClc1ccc(-c2cc(C3CCc4ccccc4N3)ncn2)cc1Cl
InChIInChI=1S/C19H15Cl2N3/c20-14-7-5-13(9-15(14)21)18-10-19(23-11-22-18)17-8-6-12-3-1-2-4-16(12)24-17/h1-5,7,9-11,17,24H,6,8H2
InChIKeyBWJKDYMGFUIAQM-UHFFFAOYSA-N
MW356.26 g/mol
LogP5.55
Rot. Bonds2

About 2-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-1,2,3,4-tetrahydroquinoline

2-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-1,2,3,4-tetrahydroquinoline (PubChem CID 123835432) has the molecular formula C19H15Cl2N3 and a molecular weight of 356.26 g/mol. Its IUPAC name is 2-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-1,2,3,4-tetrahydroquinoline
PubChem CID123835432
Molecular FormulaC19H15Cl2N3
Molecular Weight356.26 g/mol
Exact Mass355.06
IUPAC Name2-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-1,2,3,4-tetrahydroquinoline
SMILESClc1ccc(-c2cc(C3CCc4ccccc4N3)ncn2)cc1Cl
InChIInChI=1S/C19H15Cl2N3/c20-14-7-5-13(9-15(14)21)18-10-19(23-11-22-18)17-8-6-12-3-1-2-4-16(12)24-17/h1-5,7,9-11,17,24H,6,8H2
InChIKeyBWJKDYMGFUIAQM-UHFFFAOYSA-N
XLogP5.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.26
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-1,2,3,4-tetrahydroquinoline (CID 123835432) is 2-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-1,2,3,4-tetrahydroquinoline is Clc1ccc(-c2cc(C3CCc4ccccc4N3)ncn2)cc1Cl.
What is the InChIKey of 2-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is BWJKDYMGFUIAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3/c20-14-7-5-13(9-15(14)21)18-10-19(23-11-22-18)17-8-6-12-3-1-2-4-16(12)24-17/h1-5,7,9-11,17,24H,6,8H2.
What are the key properties of 2-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-1,2,3,4-tetrahydroquinoline?
2-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 356.26 g/mol, XLogP of 5.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 123835432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).