1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-3-methylquinazoline-2,4-dione

C20H18N2O3 — CID 91962397

IUPAC1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-3-methylquinazoline-2,4-dione
SMILESCn1c(=O)c2ccccc2n(CC(=O)c2ccc3c(c2)CCC3)c1=O
InChIInChI=1S/C20H18N2O3/c1-21-19(24)16-7-2-3-8-17(16)22(20(21)25)12-18(23)15-10-9-13-5-4-6-14(13)11-15/h2-3,7-11H,4-6,12H2,1H3
InChIKeyHQEHRMWACKPONJ-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.07
Rot. Bonds3

About 1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-3-methylquinazoline-2,4-dione

1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-3-methylquinazoline-2,4-dione (PubChem CID 91962397) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-3-methylquinazoline-2,4-dione.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-3-methylquinazoline-2,4-dione
PubChem CID91962397
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-3-methylquinazoline-2,4-dione
SMILESCn1c(=O)c2ccccc2n(CC(=O)c2ccc3c(c2)CCC3)c1=O
InChIInChI=1S/C20H18N2O3/c1-21-19(24)16-7-2-3-8-17(16)22(20(21)25)12-18(23)15-10-9-13-5-4-6-14(13)11-15/h2-3,7-11H,4-6,12H2,1H3
InChIKeyHQEHRMWACKPONJ-UHFFFAOYSA-N
XLogP2.07
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione
CID 91962402
1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 41050936
N-benzyl-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502382
1-(2,3-dihydro-1H-inden-5-yl)-2-indazol-1-ylethanone
CID 62140198
3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 63312250
5-(2,3-dihydro-1H-indene-5-carbonyl)-1,3-dimethylpyrimidine-2,4-dione
CID 43339138
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 7675069
1,3-bis[2-(4-bromophenyl)-2-oxoethyl]quinazoline-2,4-dione
CID 1040501
1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione
CID 90371119
1-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione
CID 8002233
N-(2,3-dihydro-1H-inden-5-yl)-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide
CID 46925612
1-butyl-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 7738283

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-3-methylquinazoline-2,4-dione?
The IUPAC name of 1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-3-methylquinazoline-2,4-dione (CID 91962397) is 1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-3-methylquinazoline-2,4-dione.
What is the SMILES notation for 1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-3-methylquinazoline-2,4-dione?
The canonical SMILES for 1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-3-methylquinazoline-2,4-dione is Cn1c(=O)c2ccccc2n(CC(=O)c2ccc3c(c2)CCC3)c1=O.
What is the InChIKey of 1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-3-methylquinazoline-2,4-dione?
The InChIKey is HQEHRMWACKPONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-21-19(24)16-7-2-3-8-17(16)22(20(21)25)12-18(23)15-10-9-13-5-4-6-14(13)11-15/h2-3,7-11H,4-6,12H2,1H3.
What are the key properties of 1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-3-methylquinazoline-2,4-dione?
1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-3-methylquinazoline-2,4-dione has a molecular weight of 334.38 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-3-methylquinazoline-2,4-dione is sourced from PubChem (CID 91962397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).