methyl 2-butyl-3-[[4-[2-[1-(methoxymethyl)tetrazol-5-yl]phenyl]phenyl]methyl]-4-oxoquinazoline-5-carboxylate

C30H30N6O4 — CID 19087817

IUPACmethyl 2-butyl-3-[[4-[2-[1-(methoxymethyl)tetrazol-5-yl]phenyl]phenyl]methyl]-4-oxoquinazoline-5-carboxylate
SMILESCCCCc1nc2cccc(C(=O)OC)c2c(=O)n1Cc1ccc(-c2ccccc2-c2nnnn2COC)cc1
InChIInChI=1S/C30H30N6O4/c1-4-5-13-26-31-25-12-8-11-24(30(38)40-3)27(25)29(37)35(26)18-20-14-16-21(17-15-20)22-9-6-7-10-23(22)28-32-33-34-36(28)19-39-2/h6-12,14-17H,4-5,13,18-19H2,1-3H3
InChIKeyMVKIDECNASQKSO-UHFFFAOYSA-N
MW538.61 g/mol
LogP4.50
Rot. Bonds10

About methyl 2-butyl-3-[[4-[2-[1-(methoxymethyl)tetrazol-5-yl]phenyl]phenyl]methyl]-4-oxoquinazoline-5-carboxylate

methyl 2-butyl-3-[[4-[2-[1-(methoxymethyl)tetrazol-5-yl]phenyl]phenyl]methyl]-4-oxoquinazoline-5-carboxylate (PubChem CID 19087817) has the molecular formula C30H30N6O4 and a molecular weight of 538.61 g/mol. Its IUPAC name is methyl 2-butyl-3-[[4-[2-[1-(methoxymethyl)tetrazol-5-yl]phenyl]phenyl]methyl]-4-oxoquinazoline-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-butyl-3-[[4-[2-[1-(methoxymethyl)tetrazol-5-yl]phenyl]phenyl]methyl]-4-oxoquinazoline-5-carboxylate
PubChem CID19087817
Molecular FormulaC30H30N6O4
Molecular Weight538.61 g/mol
Exact Mass538.23
IUPAC Namemethyl 2-butyl-3-[[4-[2-[1-(methoxymethyl)tetrazol-5-yl]phenyl]phenyl]methyl]-4-oxoquinazoline-5-carboxylate
SMILESCCCCc1nc2cccc(C(=O)OC)c2c(=O)n1Cc1ccc(-c2ccccc2-c2nnnn2COC)cc1
InChIInChI=1S/C30H30N6O4/c1-4-5-13-26-31-25-12-8-11-24(30(38)40-3)27(25)29(37)35(26)18-20-14-16-21(17-15-20)22-9-6-7-10-23(22)28-32-33-34-36(28)19-39-2/h6-12,14-17H,4-5,13,18-19H2,1-3H3
InChIKeyMVKIDECNASQKSO-UHFFFAOYSA-N
XLogP4.50
TPSA114.02 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.61
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze methyl 2-butyl-3-[[4-[2-[1-(methoxymethyl)tetrazol-5-yl]phenyl]phenyl]methyl]-4-oxoquinazoline-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
CID 14962909
methyl 2-butyl-3-[[4-(2-formylphenyl)phenyl]methyl]benzimidazole-4-carboxylate
CID 54450185
methyl 2-butyl-5-chloro-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
CID 54036111
methyl 2-[4-[[2-butyl-4-chloro-5-(1,3-dioxolan-2-yl)imidazol-1-yl]methyl]phenyl]benzoate
CID 23661367
ethane;methyl 2-butyl-3-[[4-[2-[1-(2-methyliminohydrazinyl)ethenyl]phenyl]phenyl]methyl]benzimidazole-4-carboxylate
CID 143894659
1-benzyl-5-[2-[4-[(2-butyl-4-chloro-5-methoxyimidazol-1-yl)methyl]phenyl]phenyl]tetrazole;ethane
CID 160540081
2-[4-[(2-butyl-5-methoxycarbonyl-4H-pyrrolo[2,3-d]imidazol-3-yl)methyl]phenyl]benzoic acid
CID 67024372
6-acetyl-2-butyl-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
CID 15233930
2-[4-[(2-butyl-5-ethoxycarbonyl-4-methyl-6-oxopyrimidin-1-yl)methyl]phenyl]benzoate
CID 91928662
methyl 2-(2-methoxyethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
CID 15654728
methyl 2-[4-[[2-butyl-5-ethylsulfanyl-4-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoate
CID 21479036
methyl 2-[4-[[2-butyl-4-chloro-5-(2-methoxyethoxymethoxymethyl)imidazol-1-yl]methyl]phenyl]benzoate
CID 15698088

Frequently Asked Questions

What is the IUPAC name of methyl 2-butyl-3-[[4-[2-[1-(methoxymethyl)tetrazol-5-yl]phenyl]phenyl]methyl]-4-oxoquinazoline-5-carboxylate?
The IUPAC name of methyl 2-butyl-3-[[4-[2-[1-(methoxymethyl)tetrazol-5-yl]phenyl]phenyl]methyl]-4-oxoquinazoline-5-carboxylate (CID 19087817) is methyl 2-butyl-3-[[4-[2-[1-(methoxymethyl)tetrazol-5-yl]phenyl]phenyl]methyl]-4-oxoquinazoline-5-carboxylate.
What is the SMILES notation for methyl 2-butyl-3-[[4-[2-[1-(methoxymethyl)tetrazol-5-yl]phenyl]phenyl]methyl]-4-oxoquinazoline-5-carboxylate?
The canonical SMILES for methyl 2-butyl-3-[[4-[2-[1-(methoxymethyl)tetrazol-5-yl]phenyl]phenyl]methyl]-4-oxoquinazoline-5-carboxylate is CCCCc1nc2cccc(C(=O)OC)c2c(=O)n1Cc1ccc(-c2ccccc2-c2nnnn2COC)cc1.
What is the InChIKey of methyl 2-butyl-3-[[4-[2-[1-(methoxymethyl)tetrazol-5-yl]phenyl]phenyl]methyl]-4-oxoquinazoline-5-carboxylate?
The InChIKey is MVKIDECNASQKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N6O4/c1-4-5-13-26-31-25-12-8-11-24(30(38)40-3)27(25)29(37)35(26)18-20-14-16-21(17-15-20)22-9-6-7-10-23(22)28-32-33-34-36(28)19-39-2/h6-12,14-17H,4-5,13,18-19H2,1-3H3.
What are the key properties of methyl 2-butyl-3-[[4-[2-[1-(methoxymethyl)tetrazol-5-yl]phenyl]phenyl]methyl]-4-oxoquinazoline-5-carboxylate?
methyl 2-butyl-3-[[4-[2-[1-(methoxymethyl)tetrazol-5-yl]phenyl]phenyl]methyl]-4-oxoquinazoline-5-carboxylate has a molecular weight of 538.61 g/mol, XLogP of 4.50, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-butyl-3-[[4-[2-[1-(methoxymethyl)tetrazol-5-yl]phenyl]phenyl]methyl]-4-oxoquinazoline-5-carboxylate is sourced from PubChem (CID 19087817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).