1-ethyl-N-(2-methoxy-5-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide

C23H28N4O3 — CID 53169629

IUPAC1-ethyl-N-(2-methoxy-5-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
SMILESCCN1c2ccccc2C(=O)NC12CCN(C(=O)Nc1cc(C)ccc1OC)CC2
InChIInChI=1S/C23H28N4O3/c1-4-27-19-8-6-5-7-17(19)21(28)25-23(27)11-13-26(14-12-23)22(29)24-18-15-16(2)9-10-20(18)30-3/h5-10,15H,4,11-14H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyVUMUJYCOYMEBJK-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.60
Rot. Bonds3

About 1-ethyl-N-(2-methoxy-5-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide

1-ethyl-N-(2-methoxy-5-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide (PubChem CID 53169629) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-ethyl-N-(2-methoxy-5-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(2-methoxy-5-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
PubChem CID53169629
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name1-ethyl-N-(2-methoxy-5-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
SMILESCCN1c2ccccc2C(=O)NC12CCN(C(=O)Nc1cc(C)ccc1OC)CC2
InChIInChI=1S/C23H28N4O3/c1-4-27-19-8-6-5-7-17(19)21(28)25-23(27)11-13-26(14-12-23)22(29)24-18-15-16(2)9-10-20(18)30-3/h5-10,15H,4,11-14H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyVUMUJYCOYMEBJK-UHFFFAOYSA-N
XLogP3.60
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-1-ethyl-N-(4-methoxy-2-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169651
7-chloro-N-(2-methoxy-5-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169684
N-(2-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169538
N-(2-methoxy-5-methylphenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide
CID 23881277
6,7-difluoro-N-(2-methoxyphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
CID 42875576
N-(4-methoxyphenyl)-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169562
7-methoxy-N-(2-methoxy-5-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53030260
N-(2-methoxy-5-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17185489
N-(2-methoxy-5-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 6465919
4-[2-(2-fluorophenyl)ethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113108977
1,6-dimethyl-N-(3-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169561
4-[2-(4-fluorophenyl)ethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113109129

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-methoxy-5-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of 1-ethyl-N-(2-methoxy-5-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide (CID 53169629) is 1-ethyl-N-(2-methoxy-5-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 1-ethyl-N-(2-methoxy-5-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 1-ethyl-N-(2-methoxy-5-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide is CCN1c2ccccc2C(=O)NC12CCN(C(=O)Nc1cc(C)ccc1OC)CC2.
What is the InChIKey of 1-ethyl-N-(2-methoxy-5-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide?
The InChIKey is VUMUJYCOYMEBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-4-27-19-8-6-5-7-17(19)21(28)25-23(27)11-13-26(14-12-23)22(29)24-18-15-16(2)9-10-20(18)30-3/h5-10,15H,4,11-14H2,1-3H3,(H,24,29)(H,25,28).
What are the key properties of 1-ethyl-N-(2-methoxy-5-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide?
1-ethyl-N-(2-methoxy-5-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-methoxy-5-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 53169629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).