ethyl 1-[1-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-2-oxoquinazolin-4-yl]piperidine-4-carboxylate

C27H30N4O4 — CID 53129699

IUPACethyl 1-[1-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-2-oxoquinazolin-4-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc(=O)n(CC(=O)NC3CCc4ccccc43)c3ccccc23)CC1
InChIInChI=1S/C27H30N4O4/c1-2-35-26(33)19-13-15-30(16-14-19)25-21-9-5-6-10-23(21)31(27(34)29-25)17-24(32)28-22-12-11-18-7-3-4-8-20(18)22/h3-10,19,22H,2,11-17H2,1H3,(H,28,32)
InChIKeyGIKBGCQZMHYCDG-UHFFFAOYSA-N
MW474.56 g/mol
LogP2.98
Rot. Bonds6

About ethyl 1-[1-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-2-oxoquinazolin-4-yl]piperidine-4-carboxylate

ethyl 1-[1-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-2-oxoquinazolin-4-yl]piperidine-4-carboxylate (PubChem CID 53129699) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is ethyl 1-[1-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-2-oxoquinazolin-4-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-2-oxoquinazolin-4-yl]piperidine-4-carboxylate
PubChem CID53129699
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC Nameethyl 1-[1-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-2-oxoquinazolin-4-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc(=O)n(CC(=O)NC3CCc4ccccc43)c3ccccc23)CC1
InChIInChI=1S/C27H30N4O4/c1-2-35-26(33)19-13-15-30(16-14-19)25-21-9-5-6-10-23(21)31(27(34)29-25)17-24(32)28-22-12-11-18-7-3-4-8-20(18)22/h3-10,19,22H,2,11-17H2,1H3,(H,28,32)
InChIKeyGIKBGCQZMHYCDG-UHFFFAOYSA-N
XLogP2.98
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[1-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-2-oxoquinazolin-4-yl]piperidine-4-carboxylate with MolForge

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Related Compounds

N-[(4-methylphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide
CID 53129653
ethyl 1-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidine-4-carboxylate
CID 8852975
N-(2-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide
CID 53129631
N-(2,3-dihydro-1H-inden-1-yl)-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 46861044
ethyl 4-[[2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetyl]amino]benzoate
CID 92896926
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 24587471
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 95181257
ethyl 1-(4-chlorophthalazin-1-yl)piperidine-4-carboxylate
CID 172774199
ethyl 1-[2-[2-(benzylamino)-2-oxoethyl]-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]piperidine-4-carboxylate
CID 50787715
N-(2,3-dihydro-1H-inden-1-yl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide
CID 51363395
ethyl 1-[3-(2-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]piperidine-4-carboxylate
CID 10112784
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 95185388

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-2-oxoquinazolin-4-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[1-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-2-oxoquinazolin-4-yl]piperidine-4-carboxylate (CID 53129699) is ethyl 1-[1-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-2-oxoquinazolin-4-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[1-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-2-oxoquinazolin-4-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[1-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-2-oxoquinazolin-4-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2nc(=O)n(CC(=O)NC3CCc4ccccc43)c3ccccc23)CC1.
What is the InChIKey of ethyl 1-[1-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-2-oxoquinazolin-4-yl]piperidine-4-carboxylate?
The InChIKey is GIKBGCQZMHYCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-2-35-26(33)19-13-15-30(16-14-19)25-21-9-5-6-10-23(21)31(27(34)29-25)17-24(32)28-22-12-11-18-7-3-4-8-20(18)22/h3-10,19,22H,2,11-17H2,1H3,(H,28,32).
What are the key properties of ethyl 1-[1-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-2-oxoquinazolin-4-yl]piperidine-4-carboxylate?
ethyl 1-[1-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-2-oxoquinazolin-4-yl]piperidine-4-carboxylate has a molecular weight of 474.56 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-2-oxoquinazolin-4-yl]piperidine-4-carboxylate is sourced from PubChem (CID 53129699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).