3-(cyclopropylmethyl)-1-methylquinazoline-2,4-dione

C13H14N2O2 — CID 90714195

IUPAC3-(cyclopropylmethyl)-1-methylquinazoline-2,4-dione
SMILESCn1c(=O)n(CC2CC2)c(=O)c2ccccc21
InChIInChI=1S/C13H14N2O2/c1-14-11-5-3-2-4-10(11)12(16)15(13(14)17)8-9-6-7-9/h2-5,9H,6-8H2,1H3
InChIKeyRZWOJHQJDOAEEF-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.11
Rot. Bonds2

About 3-(cyclopropylmethyl)-1-methylquinazoline-2,4-dione

3-(cyclopropylmethyl)-1-methylquinazoline-2,4-dione (PubChem CID 90714195) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-1-methylquinazoline-2,4-dione.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-1-methylquinazoline-2,4-dione
PubChem CID90714195
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3-(cyclopropylmethyl)-1-methylquinazoline-2,4-dione
SMILESCn1c(=O)n(CC2CC2)c(=O)c2ccccc21
InChIInChI=1S/C13H14N2O2/c1-14-11-5-3-2-4-10(11)12(16)15(13(14)17)8-9-6-7-9/h2-5,9H,6-8H2,1H3
InChIKeyRZWOJHQJDOAEEF-UHFFFAOYSA-N
XLogP1.11
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-aminocyclohexyl)methyl]-3-methylbenzimidazol-2-one
CID 67339990
1-(cyclobutylmethyl)-3-methylbenzimidazol-2-one
CID 115761324
3-(2-aminoethyl)-1-methylquinazoline-2,4-dione;hydrochloride
CID 75485502
1-methyl-3-[2-(methylamino)ethyl]quinazoline-2,4-dione
CID 117262294
1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione
CID 117262066
3-[(4-methoxycyclohexyl)methyl]-1-methylpyrimido[4,5-d]pyridazine-2,4-dione
CID 134557397
8-chloro-1-(cyclopropylmethyl)-3,7-dimethylpurine-2,6-dione
CID 153298083
6-(cyclopropylmethyl)-2-methylbenzo[h][1,6]naphthyridin-5-one
CID 176916120
3-[(3-methoxyphenyl)methyl]-1-methylquinazoline-2,4-dione
CID 91254141
1,3-bis(oxiran-2-ylmethyl)quinazoline-2,4-dione
CID 15366547
3-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxamide
CID 10200588
1-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione
CID 102058215

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-1-methylquinazoline-2,4-dione?
The IUPAC name of 3-(cyclopropylmethyl)-1-methylquinazoline-2,4-dione (CID 90714195) is 3-(cyclopropylmethyl)-1-methylquinazoline-2,4-dione.
What is the SMILES notation for 3-(cyclopropylmethyl)-1-methylquinazoline-2,4-dione?
The canonical SMILES for 3-(cyclopropylmethyl)-1-methylquinazoline-2,4-dione is Cn1c(=O)n(CC2CC2)c(=O)c2ccccc21.
What is the InChIKey of 3-(cyclopropylmethyl)-1-methylquinazoline-2,4-dione?
The InChIKey is RZWOJHQJDOAEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-14-11-5-3-2-4-10(11)12(16)15(13(14)17)8-9-6-7-9/h2-5,9H,6-8H2,1H3.
What are the key properties of 3-(cyclopropylmethyl)-1-methylquinazoline-2,4-dione?
3-(cyclopropylmethyl)-1-methylquinazoline-2,4-dione has a molecular weight of 230.27 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-1-methylquinazoline-2,4-dione is sourced from PubChem (CID 90714195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).