2-tert-butyl-6-morpholin-4-yl-3H-quinazolin-4-one

C16H21N3O2 — CID 140904912

IUPAC2-tert-butyl-6-morpholin-4-yl-3H-quinazolin-4-one
SMILESCC(C)(C)c1nc2ccc(N3CCOCC3)cc2c(=O)[nH]1
InChIInChI=1S/C16H21N3O2/c1-16(2,3)15-17-13-5-4-11(10-12(13)14(20)18-15)19-6-8-21-9-7-19/h4-5,10H,6-9H2,1-3H3,(H,17,18,20)
InChIKeyYKOGLYIGTPDEAI-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.06
Rot. Bonds1

About 2-tert-butyl-6-morpholin-4-yl-3H-quinazolin-4-one

2-tert-butyl-6-morpholin-4-yl-3H-quinazolin-4-one (PubChem CID 140904912) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-tert-butyl-6-morpholin-4-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-tert-butyl-6-morpholin-4-yl-3H-quinazolin-4-one
PubChem CID140904912
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-tert-butyl-6-morpholin-4-yl-3H-quinazolin-4-one
SMILESCC(C)(C)c1nc2ccc(N3CCOCC3)cc2c(=O)[nH]1
InChIInChI=1S/C16H21N3O2/c1-16(2,3)15-17-13-5-4-11(10-12(13)14(20)18-15)19-6-8-21-9-7-19/h4-5,10H,6-9H2,1-3H3,(H,17,18,20)
InChIKeyYKOGLYIGTPDEAI-UHFFFAOYSA-N
XLogP2.06
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-2-morpholin-4-yl-3H-quinazolin-4-one
CID 136808511
2-(1-benzothiophen-3-yl)-6-morpholin-4-yl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-piperidin-1-yl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-pyrrolidin-1-yl-3H-quinazolin-4-one
CID 158662772
4-methoxy-6-morpholin-4-ylquinoline-2-carboxylic acid
CID 102942059
4-oxo-6-piperidin-1-yl-3H-quinazoline-2-carbonitrile
CID 142062413
6-(dimethylamino)-2-naphthalen-1-yl-3H-quinazolin-4-one;6-methyl-2-naphthalen-1-yl-3H-quinazolin-4-one;6-morpholin-4-yl-2-naphthalen-1-yl-3H-quinazolin-4-one;2-naphthalen-1-yl-6-piperidin-1-yl-3H-quinazolin-4-one;2-naphthalen-1-yl-6-pyrrolidin-1-yl-3H-quinazolin-4-one
CID 159977746
6-amino-2-[(4-morpholin-4-ylphenyl)methylamino]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
CID 136862318
2-cyclohexyl-6-pyrrolidin-1-yl-3H-quinazolin-4-one
CID 135447986
6-[1-(3-morpholin-4-ylphenyl)pyrazol-4-yl]-2-propan-2-yl-3H-quinazolin-4-one
CID 136962305
2,7-dimethyl-6-morpholin-4-yl-3H-pyrido[3,4-d]pyrimidin-7-ium-4-one
CID 165178713
4-(4-methoxy-2-methylquinolin-6-yl)-1,4-oxazepane
CID 166834682
2-amino-6-(4-morpholin-4-ylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136501828
2-methyl-6-(2-morpholin-4-ylethylamino)-3H-quinazolin-4-one
CID 137308278

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-morpholin-4-yl-3H-quinazolin-4-one?
The IUPAC name of 2-tert-butyl-6-morpholin-4-yl-3H-quinazolin-4-one (CID 140904912) is 2-tert-butyl-6-morpholin-4-yl-3H-quinazolin-4-one.
What is the SMILES notation for 2-tert-butyl-6-morpholin-4-yl-3H-quinazolin-4-one?
The canonical SMILES for 2-tert-butyl-6-morpholin-4-yl-3H-quinazolin-4-one is CC(C)(C)c1nc2ccc(N3CCOCC3)cc2c(=O)[nH]1.
What is the InChIKey of 2-tert-butyl-6-morpholin-4-yl-3H-quinazolin-4-one?
The InChIKey is YKOGLYIGTPDEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-16(2,3)15-17-13-5-4-11(10-12(13)14(20)18-15)19-6-8-21-9-7-19/h4-5,10H,6-9H2,1-3H3,(H,17,18,20).
What are the key properties of 2-tert-butyl-6-morpholin-4-yl-3H-quinazolin-4-one?
2-tert-butyl-6-morpholin-4-yl-3H-quinazolin-4-one has a molecular weight of 287.36 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-morpholin-4-yl-3H-quinazolin-4-one is sourced from PubChem (CID 140904912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).