4-nitroso-2-(3,4,5-trimethoxyphenyl)quinazoline

C17H15N3O4 — CID 90435743

IUPAC4-nitroso-2-(3,4,5-trimethoxyphenyl)quinazoline
SMILESCOc1cc(-c2nc(N=O)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C17H15N3O4/c1-22-13-8-10(9-14(23-2)15(13)24-3)16-18-12-7-5-4-6-11(12)17(19-16)20-21/h4-9H,1-3H3
InChIKeyCYYHAQQUGNSJPB-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.72
Rot. Bonds5

About 4-nitroso-2-(3,4,5-trimethoxyphenyl)quinazoline

4-nitroso-2-(3,4,5-trimethoxyphenyl)quinazoline (PubChem CID 90435743) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 4-nitroso-2-(3,4,5-trimethoxyphenyl)quinazoline.

Molecular Properties

Compound Name4-nitroso-2-(3,4,5-trimethoxyphenyl)quinazoline
PubChem CID90435743
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name4-nitroso-2-(3,4,5-trimethoxyphenyl)quinazoline
SMILESCOc1cc(-c2nc(N=O)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C17H15N3O4/c1-22-13-8-10(9-14(23-2)15(13)24-3)16-18-12-7-5-4-6-11(12)17(19-16)20-21/h4-9H,1-3H3
InChIKeyCYYHAQQUGNSJPB-UHFFFAOYSA-N
XLogP3.72
TPSA82.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
CID 67327308
2-[[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]amino]ethanol
CID 171988113
N-(3,4-dimethylphenyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
CID 22330312
4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)quinazoline
CID 155805514
3-[[2-(3,4-dimethoxyphenyl)quinazolin-4-yl]diazenyl]-1H-indol-2-ol
CID 137290352
3-amino-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
CID 777426
5-phenyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 4544688
2-(3,4-dimethoxyphenyl)-N,N-dimethylquinazolin-4-amine
CID 132524311
(5,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]methanone
CID 86268206
(E)-3-acridin-9-yl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 163359166
N'-acridin-9-yl-3,4,5-trimethoxybenzohydrazide
CID 3138565
3-phenyl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione
CID 46225317

Frequently Asked Questions

What is the IUPAC name of 4-nitroso-2-(3,4,5-trimethoxyphenyl)quinazoline?
The IUPAC name of 4-nitroso-2-(3,4,5-trimethoxyphenyl)quinazoline (CID 90435743) is 4-nitroso-2-(3,4,5-trimethoxyphenyl)quinazoline.
What is the SMILES notation for 4-nitroso-2-(3,4,5-trimethoxyphenyl)quinazoline?
The canonical SMILES for 4-nitroso-2-(3,4,5-trimethoxyphenyl)quinazoline is COc1cc(-c2nc(N=O)c3ccccc3n2)cc(OC)c1OC.
What is the InChIKey of 4-nitroso-2-(3,4,5-trimethoxyphenyl)quinazoline?
The InChIKey is CYYHAQQUGNSJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-22-13-8-10(9-14(23-2)15(13)24-3)16-18-12-7-5-4-6-11(12)17(19-16)20-21/h4-9H,1-3H3.
What are the key properties of 4-nitroso-2-(3,4,5-trimethoxyphenyl)quinazoline?
4-nitroso-2-(3,4,5-trimethoxyphenyl)quinazoline has a molecular weight of 325.32 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitroso-2-(3,4,5-trimethoxyphenyl)quinazoline is sourced from PubChem (CID 90435743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).