3-[2-(6-tert-butylpyrimidin-4-yl)ethyl]-6-(3-methyl-2-pyridinyl)quinoline

C25H26N4 — CID 67153979

IUPAC3-[2-(6-tert-butylpyrimidin-4-yl)ethyl]-6-(3-methyl-2-pyridinyl)quinoline
SMILESCc1cccnc1-c1ccc2ncc(CCc3cc(C(C)(C)C)ncn3)cc2c1
InChIInChI=1S/C25H26N4/c1-17-6-5-11-26-24(17)19-8-10-22-20(13-19)12-18(15-27-22)7-9-21-14-23(25(2,3)4)29-16-28-21/h5-6,8,10-16H,7,9H2,1-4H3
InChIKeyMFMGTLGAXKXXBW-UHFFFAOYSA-N
MW382.51 g/mol
LogP5.48
Rot. Bonds4

About 3-[2-(6-tert-butylpyrimidin-4-yl)ethyl]-6-(3-methyl-2-pyridinyl)quinoline

3-[2-(6-tert-butylpyrimidin-4-yl)ethyl]-6-(3-methyl-2-pyridinyl)quinoline (PubChem CID 67153979) has the molecular formula C25H26N4 and a molecular weight of 382.51 g/mol. Its IUPAC name is 3-[2-(6-tert-butylpyrimidin-4-yl)ethyl]-6-(3-methyl-2-pyridinyl)quinoline.

Molecular Properties

Compound Name3-[2-(6-tert-butylpyrimidin-4-yl)ethyl]-6-(3-methyl-2-pyridinyl)quinoline
PubChem CID67153979
Molecular FormulaC25H26N4
Molecular Weight382.51 g/mol
Exact Mass382.22
IUPAC Name3-[2-(6-tert-butylpyrimidin-4-yl)ethyl]-6-(3-methyl-2-pyridinyl)quinoline
SMILESCc1cccnc1-c1ccc2ncc(CCc3cc(C(C)(C)C)ncn3)cc2c1
InChIInChI=1S/C25H26N4/c1-17-6-5-11-26-24(17)19-8-10-22-20(13-19)12-18(15-27-22)7-9-21-14-23(25(2,3)4)29-16-28-21/h5-6,8,10-16H,7,9H2,1-4H3
InChIKeyMFMGTLGAXKXXBW-UHFFFAOYSA-N
XLogP5.48
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[2-(6-tert-butylpyrimidin-4-yl)ethyl]-6-(3-methyl-2-pyridinyl)quinoline with MolForge

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Related Compounds

methyl 3-[6-(2-methylphenyl)quinolin-3-yl]propanoate
CID 53465785
2-(3,4-difluorophenyl)-3-methylpyridine
CID 142635597
2-[4-[3-(3-methyl-2-pyridinyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146586970
3-(6-tert-butylpyrimidin-4-yl)propan-1-amine
CID 83847400
3-(3-chloro-4,4-dimethylpentyl)quinoline
CID 64507771
3,6-diethylquinoline
CID 82111628
3-methyl-2-(3-phenylphenyl)pyridine
CID 58975820
3-ethylquinoline;quinoline
CID 174966721
3-(3,3-dimethylbutyl)quinoline
CID 58808300
2-(3-butyl-4-fluorophenyl)-3-methylpyridine
CID 140726876
2-methyl-7-[2-[6-[2-(7-methylquinolin-2-yl)ethyl]quinolin-3-yl]ethyl]quinazoline
CID 139472680
[6-tert-butyl-2-(3-methyl-2-pyridinyl)pyrimidin-4-yl]hydrazine
CID 62251619

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-tert-butylpyrimidin-4-yl)ethyl]-6-(3-methyl-2-pyridinyl)quinoline?
The IUPAC name of 3-[2-(6-tert-butylpyrimidin-4-yl)ethyl]-6-(3-methyl-2-pyridinyl)quinoline (CID 67153979) is 3-[2-(6-tert-butylpyrimidin-4-yl)ethyl]-6-(3-methyl-2-pyridinyl)quinoline.
What is the SMILES notation for 3-[2-(6-tert-butylpyrimidin-4-yl)ethyl]-6-(3-methyl-2-pyridinyl)quinoline?
The canonical SMILES for 3-[2-(6-tert-butylpyrimidin-4-yl)ethyl]-6-(3-methyl-2-pyridinyl)quinoline is Cc1cccnc1-c1ccc2ncc(CCc3cc(C(C)(C)C)ncn3)cc2c1.
What is the InChIKey of 3-[2-(6-tert-butylpyrimidin-4-yl)ethyl]-6-(3-methyl-2-pyridinyl)quinoline?
The InChIKey is MFMGTLGAXKXXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4/c1-17-6-5-11-26-24(17)19-8-10-22-20(13-19)12-18(15-27-22)7-9-21-14-23(25(2,3)4)29-16-28-21/h5-6,8,10-16H,7,9H2,1-4H3.
What are the key properties of 3-[2-(6-tert-butylpyrimidin-4-yl)ethyl]-6-(3-methyl-2-pyridinyl)quinoline?
3-[2-(6-tert-butylpyrimidin-4-yl)ethyl]-6-(3-methyl-2-pyridinyl)quinoline has a molecular weight of 382.51 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-tert-butylpyrimidin-4-yl)ethyl]-6-(3-methyl-2-pyridinyl)quinoline is sourced from PubChem (CID 67153979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).