3-[(2,4-dimethoxyphenyl)methyl]-7-(hydroxymethyl)-1H-quinazoline-2,4-dione

C18H18N2O5 — CID 170981715

IUPAC3-[(2,4-dimethoxyphenyl)methyl]-7-(hydroxymethyl)-1H-quinazoline-2,4-dione
SMILESCOc1ccc(Cn2c(=O)[nH]c3cc(CO)ccc3c2=O)c(OC)c1
InChIInChI=1S/C18H18N2O5/c1-24-13-5-4-12(16(8-13)25-2)9-20-17(22)14-6-3-11(10-21)7-15(14)19-18(20)23/h3-8,21H,9-10H2,1-2H3,(H,19,23)
InChIKeyHIMRUZZNMWIOSP-UHFFFAOYSA-N
MW342.35 g/mol
LogP1.25
Rot. Bonds5

About 3-[(2,4-dimethoxyphenyl)methyl]-7-(hydroxymethyl)-1H-quinazoline-2,4-dione

3-[(2,4-dimethoxyphenyl)methyl]-7-(hydroxymethyl)-1H-quinazoline-2,4-dione (PubChem CID 170981715) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 3-[(2,4-dimethoxyphenyl)methyl]-7-(hydroxymethyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[(2,4-dimethoxyphenyl)methyl]-7-(hydroxymethyl)-1H-quinazoline-2,4-dione
PubChem CID170981715
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name3-[(2,4-dimethoxyphenyl)methyl]-7-(hydroxymethyl)-1H-quinazoline-2,4-dione
SMILESCOc1ccc(Cn2c(=O)[nH]c3cc(CO)ccc3c2=O)c(OC)c1
InChIInChI=1S/C18H18N2O5/c1-24-13-5-4-12(16(8-13)25-2)9-20-17(22)14-6-3-11(10-21)7-15(14)19-18(20)23/h3-8,21H,9-10H2,1-2H3,(H,19,23)
InChIKeyHIMRUZZNMWIOSP-UHFFFAOYSA-N
XLogP1.25
TPSA93.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2,4-dimethoxyphenyl)methyl]-1H-quinazoline-2,4-dione
CID 56771696
3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione
CID 22449593
5-methoxy-3-[(2-methoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 117208271
N-butyl-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 15988112
7-(4-benzylpiperazine-1-carbonyl)-3-[(4-methoxyphenyl)methyl]-1H-quinazoline-2,4-dione
CID 3240438
7-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 117261702
6-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 18467672
N-(furan-2-ylmethyl)-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 15995150
N-[(2-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 3324304
4-chloro-8-[(2,4-dimethoxyphenyl)methyl]-5H-pteridine-6,7-dione
CID 154663192
7-chloro-3-[[4-(difluoromethoxy)phenyl]methyl]-1H-quinazoline-2,4-dione
CID 118499608
2-[7-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-2,4-dioxo-1H-quinazolin-3-yl]acetic acid
CID 69043101

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethoxyphenyl)methyl]-7-(hydroxymethyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[(2,4-dimethoxyphenyl)methyl]-7-(hydroxymethyl)-1H-quinazoline-2,4-dione (CID 170981715) is 3-[(2,4-dimethoxyphenyl)methyl]-7-(hydroxymethyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[(2,4-dimethoxyphenyl)methyl]-7-(hydroxymethyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[(2,4-dimethoxyphenyl)methyl]-7-(hydroxymethyl)-1H-quinazoline-2,4-dione is COc1ccc(Cn2c(=O)[nH]c3cc(CO)ccc3c2=O)c(OC)c1.
What is the InChIKey of 3-[(2,4-dimethoxyphenyl)methyl]-7-(hydroxymethyl)-1H-quinazoline-2,4-dione?
The InChIKey is HIMRUZZNMWIOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-24-13-5-4-12(16(8-13)25-2)9-20-17(22)14-6-3-11(10-21)7-15(14)19-18(20)23/h3-8,21H,9-10H2,1-2H3,(H,19,23).
What are the key properties of 3-[(2,4-dimethoxyphenyl)methyl]-7-(hydroxymethyl)-1H-quinazoline-2,4-dione?
3-[(2,4-dimethoxyphenyl)methyl]-7-(hydroxymethyl)-1H-quinazoline-2,4-dione has a molecular weight of 342.35 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethoxyphenyl)methyl]-7-(hydroxymethyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 170981715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).