N-(2-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide

C22H26N4O3 — CID 53169538

IUPACN-(2-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCC2(CC1)NC(=O)c1ccccc1N2C
InChIInChI=1S/C22H26N4O3/c1-3-29-19-11-7-5-9-17(19)23-21(28)26-14-12-22(13-15-26)24-20(27)16-8-4-6-10-18(16)25(22)2/h4-11H,3,12-15H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyJPFGKMPTLXIDJL-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.29
Rot. Bonds3

About N-(2-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide

N-(2-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide (PubChem CID 53169538) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
PubChem CID53169538
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-(2-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCC2(CC1)NC(=O)c1ccccc1N2C
InChIInChI=1S/C22H26N4O3/c1-3-29-19-11-7-5-9-17(19)23-21(28)26-14-12-22(13-15-26)24-20(27)16-8-4-6-10-18(16)25(22)2/h4-11H,3,12-15H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyJPFGKMPTLXIDJL-UHFFFAOYSA-N
XLogP3.29
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(4-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169600
1-ethyl-N-(2-methoxy-5-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169629
N-(2-ethoxyphenyl)-1-oxa-4-thia-8-azaspiro[4.5]decane-8-carboxamide
CID 90510786
4-cyclopropylidene-N-(2-ethoxyphenyl)piperidine-1-carboxamide
CID 121187160
N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 108988617
N-(2-ethoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108989544
methyl 2-[4-[(2-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113699
N-(2-ethoxyphenyl)-8-oxo-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 138387517
4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 6468674
6,7-difluoro-N-(2-methoxyphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
CID 42875576
N-benzyl-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169557
N-(2-ethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 6469538

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide (CID 53169538) is N-(2-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide is CCOc1ccccc1NC(=O)N1CCC2(CC1)NC(=O)c1ccccc1N2C.
What is the InChIKey of N-(2-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide?
The InChIKey is JPFGKMPTLXIDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-3-29-19-11-7-5-9-17(19)23-21(28)26-14-12-22(13-15-26)24-20(27)16-8-4-6-10-18(16)25(22)2/h4-11H,3,12-15H2,1-2H3,(H,23,28)(H,24,27).
What are the key properties of N-(2-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide?
N-(2-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 53169538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).