3-(2-methylpropyl)-4aH-quinazoline-2,4-dione

C12H14N2O2 — CID 73164602

IUPAC3-(2-methylpropyl)-4aH-quinazoline-2,4-dione
SMILESCC(C)CN1C(=O)N=C2C=CC=CC2C1=O
InChIInChI=1S/C12H14N2O2/c1-8(2)7-14-11(15)9-5-3-4-6-10(9)13-12(14)16/h3-6,8-9H,7H2,1-2H3
InChIKeyBOZVWSQFAQUMKT-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.79
Rot. Bonds2

About 3-(2-methylpropyl)-4aH-quinazoline-2,4-dione

3-(2-methylpropyl)-4aH-quinazoline-2,4-dione (PubChem CID 73164602) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(2-methylpropyl)-4aH-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(2-methylpropyl)-4aH-quinazoline-2,4-dione
PubChem CID73164602
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-(2-methylpropyl)-4aH-quinazoline-2,4-dione
SMILESCC(C)CN1C(=O)N=C2C=CC=CC2C1=O
InChIInChI=1S/C12H14N2O2/c1-8(2)7-14-11(15)9-5-3-4-6-10(9)13-12(14)16/h3-6,8-9H,7H2,1-2H3
InChIKeyBOZVWSQFAQUMKT-UHFFFAOYSA-N
XLogP1.79
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropylmethyl)-3-hydroxyquinazoline-2,4(1H,3H)-dione (2)
CID 122198062
6-fluoro-3-prop-2-enyl-2-sulfanylidene-4aH-quinazolin-4-one
CID 73325938
5-fluoro-3-methyl-4aH-quinazoline-2,4-dione
CID 73762295
7-fluoro-3-methyl-4aH-quinazoline-2,4-dione
CID 77188670
6-fluoro-3-(3-methylbutyl)-2-sulfanylidene-4aH-quinazolin-4-one
CID 78315638
6-fluoro-3-(3-methoxypropyl)-2-sulfanylidene-4aH-quinazolin-4-one
CID 78347670
6-fluoro-3-pentyl-2-sulfanylidene-4aH-quinazolin-4-one
CID 78350293
3-[2-(dimethylamino)ethyl]-6-fluoro-2-sulfanylidene-4aH-quinazolin-4-one
CID 78352086
3-[2-(diethylamino)ethyl]-6-fluoro-2-sulfanylidene-4aH-quinazolin-4-one
CID 78379348
3-cyclopentyl-5-fluoro-4aH-quinazoline-2,4-dione
CID 167996741
6-fluoro-3-propyl-2-sulfanylidene-4aH-quinazolin-4-one
CID 167998267
5-fluoro-3-propan-2-yl-2-sulfanylidene-4aH-quinazolin-4-one
CID 167999863

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-4aH-quinazoline-2,4-dione?
The IUPAC name of 3-(2-methylpropyl)-4aH-quinazoline-2,4-dione (CID 73164602) is 3-(2-methylpropyl)-4aH-quinazoline-2,4-dione.
What is the SMILES notation for 3-(2-methylpropyl)-4aH-quinazoline-2,4-dione?
The canonical SMILES for 3-(2-methylpropyl)-4aH-quinazoline-2,4-dione is CC(C)CN1C(=O)N=C2C=CC=CC2C1=O.
What is the InChIKey of 3-(2-methylpropyl)-4aH-quinazoline-2,4-dione?
The InChIKey is BOZVWSQFAQUMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8(2)7-14-11(15)9-5-3-4-6-10(9)13-12(14)16/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-4aH-quinazoline-2,4-dione?
3-(2-methylpropyl)-4aH-quinazoline-2,4-dione has a molecular weight of 218.26 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-4aH-quinazoline-2,4-dione is sourced from PubChem (CID 73164602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).