3-(3-methoxyphenyl)-1-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea

C24H26N6O3 — CID 1459509

IUPAC3-(3-methoxyphenyl)-1-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
SMILESCOc1cccc(NC(=O)N(Cc2cc3ccc(C)cc3n3nnnc23)C[C@@H]2CCCO2)c1
InChIInChI=1S/C24H26N6O3/c1-16-8-9-17-12-18(23-26-27-28-30(23)22(17)11-16)14-29(15-21-7-4-10-33-21)24(31)25-19-5-3-6-20(13-19)32-2/h3,5-6,8-9,11-13,21H,4,7,10,14-15H2,1-2H3,(H,25,31)/t21-/m0/s1
InChIKeyQRJPSSFBTVAZCJ-NRFANRHFSA-N
MW446.51 g/mol
LogP3.81
Rot. Bonds6

About 3-(3-methoxyphenyl)-1-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea

3-(3-methoxyphenyl)-1-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea (PubChem CID 1459509) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
PubChem CID1459509
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC Name3-(3-methoxyphenyl)-1-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
SMILESCOc1cccc(NC(=O)N(Cc2cc3ccc(C)cc3n3nnnc23)C[C@@H]2CCCO2)c1
InChIInChI=1S/C24H26N6O3/c1-16-8-9-17-12-18(23-26-27-28-30(23)22(17)11-16)14-29(15-21-7-4-10-33-21)24(31)25-19-5-3-6-20(13-19)32-2/h3,5-6,8-9,11-13,21H,4,7,10,14-15H2,1-2H3,(H,25,31)/t21-/m0/s1
InChIKeyQRJPSSFBTVAZCJ-NRFANRHFSA-N
XLogP3.81
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(3-methoxyphenyl)-1-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea 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

3-(4-fluorophenyl)-1-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 51685233
N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(oxolan-2-ylmethyl)cyclobutanecarboxamide
CID 3216808
3-cyclohexyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 51686396
3-benzyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(oxolan-2-ylmethyl)urea
CID 3216762
2-chloro-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 1466395
N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 1466402
N-cyclopentyl-3,5-dimethoxy-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
CID 3216791
3-(3-acetylphenyl)-1-[(4-methoxyphenyl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 125164540
N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 1466234
2-[(3-methoxyphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42771751
N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2,2,2-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1459588
3,3-dimethyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 1466242

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea?
The IUPAC name of 3-(3-methoxyphenyl)-1-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea (CID 1459509) is 3-(3-methoxyphenyl)-1-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 3-(3-methoxyphenyl)-1-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea is COc1cccc(NC(=O)N(Cc2cc3ccc(C)cc3n3nnnc23)C[C@@H]2CCCO2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea?
The InChIKey is QRJPSSFBTVAZCJ-NRFANRHFSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-16-8-9-17-12-18(23-26-27-28-30(23)22(17)11-16)14-29(15-21-7-4-10-33-21)24(31)25-19-5-3-6-20(13-19)32-2/h3,5-6,8-9,11-13,21H,4,7,10,14-15H2,1-2H3,(H,25,31)/t21-/m0/s1.
What are the key properties of 3-(3-methoxyphenyl)-1-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea?
3-(3-methoxyphenyl)-1-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea has a molecular weight of 446.51 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 1459509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).