5-[[8-(dimethylamino)-7-methylquinolin-5-yl]methyl]-1H-pyrimidine-2,4-dione

C17H18N4O2 — CID 12849824

IUPAC5-[[8-(dimethylamino)-7-methylquinolin-5-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESCc1cc(Cc2c[nH]c(=O)[nH]c2=O)c2cccnc2c1N(C)C
InChIInChI=1S/C17H18N4O2/c1-10-7-11(8-12-9-19-17(23)20-16(12)22)13-5-4-6-18-14(13)15(10)21(2)3/h4-7,9H,8H2,1-3H3,(H2,19,20,22,23)
InChIKeyFYDBQUJVGKGGPD-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.58
Rot. Bonds3

About 5-[[8-(dimethylamino)-7-methylquinolin-5-yl]methyl]-1H-pyrimidine-2,4-dione

5-[[8-(dimethylamino)-7-methylquinolin-5-yl]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 12849824) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-[[8-(dimethylamino)-7-methylquinolin-5-yl]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[8-(dimethylamino)-7-methylquinolin-5-yl]methyl]-1H-pyrimidine-2,4-dione
PubChem CID12849824
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name5-[[8-(dimethylamino)-7-methylquinolin-5-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESCc1cc(Cc2c[nH]c(=O)[nH]c2=O)c2cccnc2c1N(C)C
InChIInChI=1S/C17H18N4O2/c1-10-7-11(8-12-9-19-17(23)20-16(12)22)13-5-4-6-18-14(13)15(10)21(2)3/h4-7,9H,8H2,1-3H3,(H2,19,20,22,23)
InChIKeyFYDBQUJVGKGGPD-UHFFFAOYSA-N
XLogP1.58
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[8-(dimethylamino)-7-methylquinolin-5-yl]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[[8-(dimethylamino)-7-methylquinolin-5-yl]methyl]-1H-pyrimidine-2,4-dione (CID 12849824) is 5-[[8-(dimethylamino)-7-methylquinolin-5-yl]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[[8-(dimethylamino)-7-methylquinolin-5-yl]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[[8-(dimethylamino)-7-methylquinolin-5-yl]methyl]-1H-pyrimidine-2,4-dione is Cc1cc(Cc2c[nH]c(=O)[nH]c2=O)c2cccnc2c1N(C)C.
What is the InChIKey of 5-[[8-(dimethylamino)-7-methylquinolin-5-yl]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is FYDBQUJVGKGGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-10-7-11(8-12-9-19-17(23)20-16(12)22)13-5-4-6-18-14(13)15(10)21(2)3/h4-7,9H,8H2,1-3H3,(H2,19,20,22,23).
What are the key properties of 5-[[8-(dimethylamino)-7-methylquinolin-5-yl]methyl]-1H-pyrimidine-2,4-dione?
5-[[8-(dimethylamino)-7-methylquinolin-5-yl]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 310.36 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[8-(dimethylamino)-7-methylquinolin-5-yl]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 12849824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).