ethane;4-hydroxy-4-methyl-3-propan-2-yl-1H-quinazolin-2-one

C14H22N2O2 — CID 91100636

IUPACethane;4-hydroxy-4-methyl-3-propan-2-yl-1H-quinazolin-2-one
SMILESCC.CC(C)N1C(=O)Nc2ccccc2C1(C)O
InChIInChI=1S/C12H16N2O2.C2H6/c1-8(2)14-11(15)13-10-7-5-4-6-9(10)12(14,3)16;1-2/h4-8,16H,1-3H3,(H,13,15);1-2H3
InChIKeyOPNYNFVTAMOKLE-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.13
Rot. Bonds1

About ethane;4-hydroxy-4-methyl-3-propan-2-yl-1H-quinazolin-2-one

ethane;4-hydroxy-4-methyl-3-propan-2-yl-1H-quinazolin-2-one (PubChem CID 91100636) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethane;4-hydroxy-4-methyl-3-propan-2-yl-1H-quinazolin-2-one.

Molecular Properties

Compound Nameethane;4-hydroxy-4-methyl-3-propan-2-yl-1H-quinazolin-2-one
PubChem CID91100636
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nameethane;4-hydroxy-4-methyl-3-propan-2-yl-1H-quinazolin-2-one
SMILESCC.CC(C)N1C(=O)Nc2ccccc2C1(C)O
InChIInChI=1S/C12H16N2O2.C2H6/c1-8(2)14-11(15)13-10-7-5-4-6-9(10)12(14,3)16;1-2/h4-8,16H,1-3H3,(H,13,15);1-2H3
InChIKeyOPNYNFVTAMOKLE-UHFFFAOYSA-N
XLogP3.13
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 70850477
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CID 54777947
1'-propan-2-ylspiro[1,3-dihydroquinazoline-4,4'-piperidine]-2-one
CID 59731966
1'-propan-2-ylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
CID 21303276
methyl 3-methyl-2-oxo-1H-indole-3-carboxylate
CID 19848647
6,12-dimethyl-5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-diol
CID 102192886
3,3-dimethyl-1H-indol-2-one;ethanol
CID 158151574
1-(9-methyl-10H-acridin-9-yl)ethanone
CID 162143762
3-(1-hydroxypentan-3-yl)-3-methyl-1H-indol-2-one
CID 102522956
(3R)-3-hydroxy-3-(2-methoxyphenyl)-1H-indol-2-one
CID 7333204
3-hydroxy-3-(1-nitropropyl)-1H-indol-2-one
CID 2898239
ethyl (4S)-4-hydroxy-3-methyl-2-oxo-1H-quinazoline-4-carboxylate
CID 744798

Frequently Asked Questions

What is the IUPAC name of ethane;4-hydroxy-4-methyl-3-propan-2-yl-1H-quinazolin-2-one?
The IUPAC name of ethane;4-hydroxy-4-methyl-3-propan-2-yl-1H-quinazolin-2-one (CID 91100636) is ethane;4-hydroxy-4-methyl-3-propan-2-yl-1H-quinazolin-2-one.
What is the SMILES notation for ethane;4-hydroxy-4-methyl-3-propan-2-yl-1H-quinazolin-2-one?
The canonical SMILES for ethane;4-hydroxy-4-methyl-3-propan-2-yl-1H-quinazolin-2-one is CC.CC(C)N1C(=O)Nc2ccccc2C1(C)O.
What is the InChIKey of ethane;4-hydroxy-4-methyl-3-propan-2-yl-1H-quinazolin-2-one?
The InChIKey is OPNYNFVTAMOKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2.C2H6/c1-8(2)14-11(15)13-10-7-5-4-6-9(10)12(14,3)16;1-2/h4-8,16H,1-3H3,(H,13,15);1-2H3.
What are the key properties of ethane;4-hydroxy-4-methyl-3-propan-2-yl-1H-quinazolin-2-one?
ethane;4-hydroxy-4-methyl-3-propan-2-yl-1H-quinazolin-2-one has a molecular weight of 250.34 g/mol, XLogP of 3.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-hydroxy-4-methyl-3-propan-2-yl-1H-quinazolin-2-one is sourced from PubChem (CID 91100636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).