1'-(4-ethoxybenzoyl)-1-ethyl-6-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one

C24H29N3O3 — CID 53169443

IUPAC1'-(4-ethoxybenzoyl)-1-ethyl-6-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one
SMILESCCOc1ccc(C(=O)N2CCC3(CC2)NC(=O)c2cc(C)ccc2N3CC)cc1
InChIInChI=1S/C24H29N3O3/c1-4-27-21-11-6-17(3)16-20(21)22(28)25-24(27)12-14-26(15-13-24)23(29)18-7-9-19(10-8-18)30-5-2/h6-11,16H,4-5,12-15H2,1-3H3,(H,25,28)
InChIKeyKKBFSEWWLDYTMY-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.60
Rot. Bonds4

About 1'-(4-ethoxybenzoyl)-1-ethyl-6-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one

1'-(4-ethoxybenzoyl)-1-ethyl-6-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one (PubChem CID 53169443) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 1'-(4-ethoxybenzoyl)-1-ethyl-6-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(4-ethoxybenzoyl)-1-ethyl-6-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one
PubChem CID53169443
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name1'-(4-ethoxybenzoyl)-1-ethyl-6-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one
SMILESCCOc1ccc(C(=O)N2CCC3(CC2)NC(=O)c2cc(C)ccc2N3CC)cc1
InChIInChI=1S/C24H29N3O3/c1-4-27-21-11-6-17(3)16-20(21)22(28)25-24(27)12-14-26(15-13-24)23(29)18-7-9-19(10-8-18)30-5-2/h6-11,16H,4-5,12-15H2,1-3H3,(H,25,28)
InChIKeyKKBFSEWWLDYTMY-UHFFFAOYSA-N
XLogP3.60
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-1'-[2-(4-methoxyphenyl)acetyl]-6-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one
CID 53169446
1'-(3,5-dimethylbenzoyl)-1-ethyl-6-fluorospiro[3H-quinazoline-2,4'-piperidine]-4-one
CID 53169465
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
6-chloro-N-(4-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169600
3-[(4-chlorophenyl)methyl]-8-(4-ethoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109483
N-(4-methoxyphenyl)-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169562
(4-ethoxyphenyl)-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53025874
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 110495905
8-(4-ethoxybenzoyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
CID 91923759
6,8-dichloro-1'-(4-ethoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758658
7-chloro-1-ethyl-N-(4-methoxy-2-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169651
1'-(3,5-dimethylbenzoyl)-1-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one
CID 53169309

Frequently Asked Questions

What is the IUPAC name of 1'-(4-ethoxybenzoyl)-1-ethyl-6-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(4-ethoxybenzoyl)-1-ethyl-6-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one (CID 53169443) is 1'-(4-ethoxybenzoyl)-1-ethyl-6-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(4-ethoxybenzoyl)-1-ethyl-6-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(4-ethoxybenzoyl)-1-ethyl-6-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one is CCOc1ccc(C(=O)N2CCC3(CC2)NC(=O)c2cc(C)ccc2N3CC)cc1.
What is the InChIKey of 1'-(4-ethoxybenzoyl)-1-ethyl-6-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one?
The InChIKey is KKBFSEWWLDYTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-4-27-21-11-6-17(3)16-20(21)22(28)25-24(27)12-14-26(15-13-24)23(29)18-7-9-19(10-8-18)30-5-2/h6-11,16H,4-5,12-15H2,1-3H3,(H,25,28).
What are the key properties of 1'-(4-ethoxybenzoyl)-1-ethyl-6-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one?
1'-(4-ethoxybenzoyl)-1-ethyl-6-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one has a molecular weight of 407.51 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-ethoxybenzoyl)-1-ethyl-6-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one is sourced from PubChem (CID 53169443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).