[2-(cyclooctylamino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate

C21H27N3O4 — CID 27938357

IUPAC[2-(cyclooctylamino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
SMILESCc1cccc2c(=O)n(CC(=O)OCC(=O)NC3CCCCCCC3)cnc12
InChIInChI=1S/C21H27N3O4/c1-15-8-7-11-17-20(15)22-14-24(21(17)27)12-19(26)28-13-18(25)23-16-9-5-3-2-4-6-10-16/h7-8,11,14,16H,2-6,9-10,12-13H2,1H3,(H,23,25)
InChIKeyRHLLKDXMTMCZAM-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.48
Rot. Bonds5

About [2-(cyclooctylamino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate

[2-(cyclooctylamino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate (PubChem CID 27938357) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is [2-(cyclooctylamino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name[2-(cyclooctylamino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
PubChem CID27938357
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name[2-(cyclooctylamino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
SMILESCc1cccc2c(=O)n(CC(=O)OCC(=O)NC3CCCCCCC3)cnc12
InChIInChI=1S/C21H27N3O4/c1-15-8-7-11-17-20(15)22-14-24(21(17)27)12-19(26)28-13-18(25)23-16-9-5-3-2-4-6-10-16/h7-8,11,14,16H,2-6,9-10,12-13H2,1H3,(H,23,25)
InChIKeyRHLLKDXMTMCZAM-UHFFFAOYSA-N
XLogP2.48
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(cyclooctylamino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate with MolForge

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Related Compounds

ethyl 4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 31844800
benzyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27938253
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27938467
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 46792790
[2-(cyclohexylamino)-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
CID 4240792
2-(3-methylphenoxy)ethyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 46649032
[2-(2,5-diethoxyanilino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 42085540
N-cyclohexyl-N-methyl-4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide
CID 60549248
N-(1-acetylpiperidin-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
CID 47015246
(2-anilino-2-oxoethyl) 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
CID 33486113
N-[2-(aminomethyl)cyclohexyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 119610697
N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 4815745

Frequently Asked Questions

What is the IUPAC name of [2-(cyclooctylamino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate?
The IUPAC name of [2-(cyclooctylamino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate (CID 27938357) is [2-(cyclooctylamino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for [2-(cyclooctylamino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for [2-(cyclooctylamino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate is Cc1cccc2c(=O)n(CC(=O)OCC(=O)NC3CCCCCCC3)cnc12.
What is the InChIKey of [2-(cyclooctylamino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate?
The InChIKey is RHLLKDXMTMCZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-15-8-7-11-17-20(15)22-14-24(21(17)27)12-19(26)28-13-18(25)23-16-9-5-3-2-4-6-10-16/h7-8,11,14,16H,2-6,9-10,12-13H2,1H3,(H,23,25).
What are the key properties of [2-(cyclooctylamino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate?
[2-(cyclooctylamino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate has a molecular weight of 385.46 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclooctylamino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 27938357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).