1-(3-tert-butyl-4-methoxy-5-quinolin-6-ylphenyl)pyrimidine-2,4-dione

C24H23N3O3 — CID 141375280

IUPAC1-(3-tert-butyl-4-methoxy-5-quinolin-6-ylphenyl)pyrimidine-2,4-dione
SMILESCOc1c(-c2ccc3ncccc3c2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C
InChIInChI=1S/C24H23N3O3/c1-24(2,3)19-14-17(27-11-9-21(28)26-23(27)29)13-18(22(19)30-4)15-7-8-20-16(12-15)6-5-10-25-20/h5-14H,1-4H3,(H,26,28,29)
InChIKeyZSYLHDCEFCJNGA-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.05
Rot. Bonds3

About 1-(3-tert-butyl-4-methoxy-5-quinolin-6-ylphenyl)pyrimidine-2,4-dione

1-(3-tert-butyl-4-methoxy-5-quinolin-6-ylphenyl)pyrimidine-2,4-dione (PubChem CID 141375280) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-(3-tert-butyl-4-methoxy-5-quinolin-6-ylphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3-tert-butyl-4-methoxy-5-quinolin-6-ylphenyl)pyrimidine-2,4-dione
PubChem CID141375280
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name1-(3-tert-butyl-4-methoxy-5-quinolin-6-ylphenyl)pyrimidine-2,4-dione
SMILESCOc1c(-c2ccc3ncccc3c2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C
InChIInChI=1S/C24H23N3O3/c1-24(2,3)19-14-17(27-11-9-21(28)26-23(27)29)13-18(22(19)30-4)15-7-8-20-16(12-15)6-5-10-25-20/h5-14H,1-4H3,(H,26,28,29)
InChIKeyZSYLHDCEFCJNGA-UHFFFAOYSA-N
XLogP4.05
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-4-methoxy-5-quinolin-6-ylphenyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(3-tert-butyl-4-methoxy-5-quinolin-6-ylphenyl)pyrimidine-2,4-dione (CID 141375280) is 1-(3-tert-butyl-4-methoxy-5-quinolin-6-ylphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(3-tert-butyl-4-methoxy-5-quinolin-6-ylphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(3-tert-butyl-4-methoxy-5-quinolin-6-ylphenyl)pyrimidine-2,4-dione is COc1c(-c2ccc3ncccc3c2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C.
What is the InChIKey of 1-(3-tert-butyl-4-methoxy-5-quinolin-6-ylphenyl)pyrimidine-2,4-dione?
The InChIKey is ZSYLHDCEFCJNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-24(2,3)19-14-17(27-11-9-21(28)26-23(27)29)13-18(22(19)30-4)15-7-8-20-16(12-15)6-5-10-25-20/h5-14H,1-4H3,(H,26,28,29).
What are the key properties of 1-(3-tert-butyl-4-methoxy-5-quinolin-6-ylphenyl)pyrimidine-2,4-dione?
1-(3-tert-butyl-4-methoxy-5-quinolin-6-ylphenyl)pyrimidine-2,4-dione has a molecular weight of 401.47 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-4-methoxy-5-quinolin-6-ylphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 141375280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).