6-bromo-3-[(Z)-[5-(4-methoxyphenyl)-1,2-oxazolidin-3-ylidene]amino]-2-methylquinazolin-4-one

C19H17BrN4O3 — CID 135501698

IUPAC6-bromo-3-[(Z)-[5-(4-methoxyphenyl)-1,2-oxazolidin-3-ylidene]amino]-2-methylquinazolin-4-one
SMILESCOc1ccc(C2C/C(=N/n3c(C)nc4ccc(Br)cc4c3=O)NO2)cc1
InChIInChI=1S/C19H17BrN4O3/c1-11-21-16-8-5-13(20)9-15(16)19(25)24(11)22-18-10-17(27-23-18)12-3-6-14(26-2)7-4-12/h3-9,17H,10H2,1-2H3,(H,22,23)
InChIKeyOPDHGQRSXABCMM-UHFFFAOYSA-N
MW429.27 g/mol
LogP3.30
Rot. Bonds3

About 6-bromo-3-[(Z)-[5-(4-methoxyphenyl)-1,2-oxazolidin-3-ylidene]amino]-2-methylquinazolin-4-one

6-bromo-3-[(Z)-[5-(4-methoxyphenyl)-1,2-oxazolidin-3-ylidene]amino]-2-methylquinazolin-4-one (PubChem CID 135501698) has the molecular formula C19H17BrN4O3 and a molecular weight of 429.27 g/mol. Its IUPAC name is 6-bromo-3-[(Z)-[5-(4-methoxyphenyl)-1,2-oxazolidin-3-ylidene]amino]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-[(Z)-[5-(4-methoxyphenyl)-1,2-oxazolidin-3-ylidene]amino]-2-methylquinazolin-4-one
PubChem CID135501698
Molecular FormulaC19H17BrN4O3
Molecular Weight429.27 g/mol
Exact Mass428.05
IUPAC Name6-bromo-3-[(Z)-[5-(4-methoxyphenyl)-1,2-oxazolidin-3-ylidene]amino]-2-methylquinazolin-4-one
SMILESCOc1ccc(C2C/C(=N/n3c(C)nc4ccc(Br)cc4c3=O)NO2)cc1
InChIInChI=1S/C19H17BrN4O3/c1-11-21-16-8-5-13(20)9-15(16)19(25)24(11)22-18-10-17(27-23-18)12-3-6-14(26-2)7-4-12/h3-9,17H,10H2,1-2H3,(H,22,23)
InChIKeyOPDHGQRSXABCMM-UHFFFAOYSA-N
XLogP3.30
TPSA77.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.27
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[(Z)-(1-acetyl-5-phenylpyrazolidin-3-ylidene)amino]-6-bromo-2-methylquinazolin-4-one
CID 135542554
6-bromo-3-[(4-fluorophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 126307039
6-bromo-3-[[4-(dimethylamino)-2-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one
CID 126303339
(2S)-2-[4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]propanoic acid
CID 126307034
[2-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-6-methoxyphenyl] acetate
CID 126299728
6-bromo-3-[(2,4-diethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 126300391
6-bromo-3-[(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-methylquinazolin-4-one
CID 126299082
6-bromo-3-[(5-bromo-2-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 126285741
6-bromo-2-methyl-3-[(3-methylfuran-2-yl)methylideneamino]quinazolin-4-one
CID 126308490
6-bromo-3-[(2,3-dibromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 126313966
(2S)-2-[3-bromo-4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-2-chloro-6-methoxyphenoxy]propanoic acid
CID 126283389
6-bromo-3-[(3-fluorophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 126305274

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(Z)-[5-(4-methoxyphenyl)-1,2-oxazolidin-3-ylidene]amino]-2-methylquinazolin-4-one?
The IUPAC name of 6-bromo-3-[(Z)-[5-(4-methoxyphenyl)-1,2-oxazolidin-3-ylidene]amino]-2-methylquinazolin-4-one (CID 135501698) is 6-bromo-3-[(Z)-[5-(4-methoxyphenyl)-1,2-oxazolidin-3-ylidene]amino]-2-methylquinazolin-4-one.
What is the SMILES notation for 6-bromo-3-[(Z)-[5-(4-methoxyphenyl)-1,2-oxazolidin-3-ylidene]amino]-2-methylquinazolin-4-one?
The canonical SMILES for 6-bromo-3-[(Z)-[5-(4-methoxyphenyl)-1,2-oxazolidin-3-ylidene]amino]-2-methylquinazolin-4-one is COc1ccc(C2C/C(=N/n3c(C)nc4ccc(Br)cc4c3=O)NO2)cc1.
What is the InChIKey of 6-bromo-3-[(Z)-[5-(4-methoxyphenyl)-1,2-oxazolidin-3-ylidene]amino]-2-methylquinazolin-4-one?
The InChIKey is OPDHGQRSXABCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O3/c1-11-21-16-8-5-13(20)9-15(16)19(25)24(11)22-18-10-17(27-23-18)12-3-6-14(26-2)7-4-12/h3-9,17H,10H2,1-2H3,(H,22,23).
What are the key properties of 6-bromo-3-[(Z)-[5-(4-methoxyphenyl)-1,2-oxazolidin-3-ylidene]amino]-2-methylquinazolin-4-one?
6-bromo-3-[(Z)-[5-(4-methoxyphenyl)-1,2-oxazolidin-3-ylidene]amino]-2-methylquinazolin-4-one has a molecular weight of 429.27 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(Z)-[5-(4-methoxyphenyl)-1,2-oxazolidin-3-ylidene]amino]-2-methylquinazolin-4-one is sourced from PubChem (CID 135501698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).