6-methoxy-3-(3-phenylmethoxypropyl)-1H-quinazoline-2,4-dione

C19H20N2O4 — CID 118869707

IUPAC6-methoxy-3-(3-phenylmethoxypropyl)-1H-quinazoline-2,4-dione
SMILESCOc1ccc2[nH]c(=O)n(CCCOCc3ccccc3)c(=O)c2c1
InChIInChI=1S/C19H20N2O4/c1-24-15-8-9-17-16(12-15)18(22)21(19(23)20-17)10-5-11-25-13-14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,20,23)
InChIKeyADRXUFAADDDZKZ-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.31
Rot. Bonds7

About 6-methoxy-3-(3-phenylmethoxypropyl)-1H-quinazoline-2,4-dione

6-methoxy-3-(3-phenylmethoxypropyl)-1H-quinazoline-2,4-dione (PubChem CID 118869707) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 6-methoxy-3-(3-phenylmethoxypropyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-methoxy-3-(3-phenylmethoxypropyl)-1H-quinazoline-2,4-dione
PubChem CID118869707
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name6-methoxy-3-(3-phenylmethoxypropyl)-1H-quinazoline-2,4-dione
SMILESCOc1ccc2[nH]c(=O)n(CCCOCc3ccccc3)c(=O)c2c1
InChIInChI=1S/C19H20N2O4/c1-24-15-8-9-17-16(12-15)18(22)21(19(23)20-17)10-5-11-25-13-14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,20,23)
InChIKeyADRXUFAADDDZKZ-UHFFFAOYSA-N
XLogP2.31
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 58223223
CID 58223223
3-(furan-2-ylmethyl)-6-methoxy-1H-quinazoline-2,4-dione
CID 117261447
1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene
CID 101026265
butan-1-amine;3-butyl-6-methoxy-1H-quinazoline-2,4-dione;6-methoxy-1H-3,1-benzoxazine-2,4-dione
CID 158897093
3-(phenylmethoxymethyl)-1H-quinazoline-2,4-dione
CID 139951410
6-methoxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione
CID 117262552
3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione
CID 22449593
N-(2,5-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4902769
3-[(2,4-dimethoxyphenyl)methyl]-1H-quinazoline-2,4-dione
CID 56771696
7-methoxy-3-octoxy-1-octyl-4-phenylmethoxyquinolin-2-one
CID 139717005
6-methoxy-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261267
3-[4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-oxobutyl]-1H-quinazoline-2,4-dione
CID 128962778

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(3-phenylmethoxypropyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 6-methoxy-3-(3-phenylmethoxypropyl)-1H-quinazoline-2,4-dione (CID 118869707) is 6-methoxy-3-(3-phenylmethoxypropyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6-methoxy-3-(3-phenylmethoxypropyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 6-methoxy-3-(3-phenylmethoxypropyl)-1H-quinazoline-2,4-dione is COc1ccc2[nH]c(=O)n(CCCOCc3ccccc3)c(=O)c2c1.
What is the InChIKey of 6-methoxy-3-(3-phenylmethoxypropyl)-1H-quinazoline-2,4-dione?
The InChIKey is ADRXUFAADDDZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-24-15-8-9-17-16(12-15)18(22)21(19(23)20-17)10-5-11-25-13-14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,20,23).
What are the key properties of 6-methoxy-3-(3-phenylmethoxypropyl)-1H-quinazoline-2,4-dione?
6-methoxy-3-(3-phenylmethoxypropyl)-1H-quinazoline-2,4-dione has a molecular weight of 340.38 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(3-phenylmethoxypropyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 118869707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).