3-tert-butyl-1-(cyclopropylmethyl)-8-methylquinazoline-2,4-dione

C17H22N2O2 — CID 141462480

IUPAC3-tert-butyl-1-(cyclopropylmethyl)-8-methylquinazoline-2,4-dione
SMILESCc1cccc2c(=O)n(C(C)(C)C)c(=O)n(CC3CC3)c12
InChIInChI=1S/C17H22N2O2/c1-11-6-5-7-13-14(11)18(10-12-8-9-12)16(21)19(15(13)20)17(2,3)4/h5-7,12H,8-10H2,1-4H3
InChIKeyLIYAODIDWDFBOH-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.64
Rot. Bonds2

About 3-tert-butyl-1-(cyclopropylmethyl)-8-methylquinazoline-2,4-dione

3-tert-butyl-1-(cyclopropylmethyl)-8-methylquinazoline-2,4-dione (PubChem CID 141462480) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-tert-butyl-1-(cyclopropylmethyl)-8-methylquinazoline-2,4-dione.

Molecular Properties

Compound Name3-tert-butyl-1-(cyclopropylmethyl)-8-methylquinazoline-2,4-dione
PubChem CID141462480
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-tert-butyl-1-(cyclopropylmethyl)-8-methylquinazoline-2,4-dione
SMILESCc1cccc2c(=O)n(C(C)(C)C)c(=O)n(CC3CC3)c12
InChIInChI=1S/C17H22N2O2/c1-11-6-5-7-13-14(11)18(10-12-8-9-12)16(21)19(15(13)20)17(2,3)4/h5-7,12H,8-10H2,1-4H3
InChIKeyLIYAODIDWDFBOH-UHFFFAOYSA-N
XLogP2.64
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(cyclopropylmethyl)-8-methylquinazoline-2,4-dione?
The IUPAC name of 3-tert-butyl-1-(cyclopropylmethyl)-8-methylquinazoline-2,4-dione (CID 141462480) is 3-tert-butyl-1-(cyclopropylmethyl)-8-methylquinazoline-2,4-dione.
What is the SMILES notation for 3-tert-butyl-1-(cyclopropylmethyl)-8-methylquinazoline-2,4-dione?
The canonical SMILES for 3-tert-butyl-1-(cyclopropylmethyl)-8-methylquinazoline-2,4-dione is Cc1cccc2c(=O)n(C(C)(C)C)c(=O)n(CC3CC3)c12.
What is the InChIKey of 3-tert-butyl-1-(cyclopropylmethyl)-8-methylquinazoline-2,4-dione?
The InChIKey is LIYAODIDWDFBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11-6-5-7-13-14(11)18(10-12-8-9-12)16(21)19(15(13)20)17(2,3)4/h5-7,12H,8-10H2,1-4H3.
What are the key properties of 3-tert-butyl-1-(cyclopropylmethyl)-8-methylquinazoline-2,4-dione?
3-tert-butyl-1-(cyclopropylmethyl)-8-methylquinazoline-2,4-dione has a molecular weight of 286.38 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(cyclopropylmethyl)-8-methylquinazoline-2,4-dione is sourced from PubChem (CID 141462480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).