2-[[2-hydroxypropyl(propan-2-yl)amino]methyl]-3-methylquinazolin-4-one

C16H23N3O2 — CID 111107881

IUPAC2-[[2-hydroxypropyl(propan-2-yl)amino]methyl]-3-methylquinazolin-4-one
SMILESCC(O)CN(Cc1nc2ccccc2c(=O)n1C)C(C)C
InChIInChI=1S/C16H23N3O2/c1-11(2)19(9-12(3)20)10-15-17-14-8-6-5-7-13(14)16(21)18(15)4/h5-8,11-12,20H,9-10H2,1-4H3
InChIKeyIRHYCXIUDMZENM-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.52
Rot. Bonds5

About 2-[[2-hydroxypropyl(propan-2-yl)amino]methyl]-3-methylquinazolin-4-one

2-[[2-hydroxypropyl(propan-2-yl)amino]methyl]-3-methylquinazolin-4-one (PubChem CID 111107881) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[[2-hydroxypropyl(propan-2-yl)amino]methyl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-[[2-hydroxypropyl(propan-2-yl)amino]methyl]-3-methylquinazolin-4-one
PubChem CID111107881
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[[2-hydroxypropyl(propan-2-yl)amino]methyl]-3-methylquinazolin-4-one
SMILESCC(O)CN(Cc1nc2ccccc2c(=O)n1C)C(C)C
InChIInChI=1S/C16H23N3O2/c1-11(2)19(9-12(3)20)10-15-17-14-8-6-5-7-13(14)16(21)18(15)4/h5-8,11-12,20H,9-10H2,1-4H3
InChIKeyIRHYCXIUDMZENM-UHFFFAOYSA-N
XLogP1.52
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[2-hydroxypropyl(propan-2-yl)amino]methyl]-3-methylquinazolin-4-one with MolForge

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Related Compounds

ethane;2-(hydroxymethyl)-3-methylquinazolin-4-one
CID 91302678
ethane;2-ethyl-3-methylquinazolin-4-one
CID 143999559
2-(bromomethyl)-3-methylquinazolin-4-one
CID 15707759
2-(aminomethyl)-3-methylquinazolin-4-one;hydrochloride
CID 75537334
3-methyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]quinazolin-4-one
CID 122133317
methyl N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]carbamate
CID 110352045
2-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]acetic acid
CID 61394536
2-[(dimethylamino)methyl]-3-hydroxyquinazolin-4-one;ethane
CID 91440564
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
CID 3505299
N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]pyridine-4-carboxamide
CID 84513157
(3-methyl-4-oxoquinazolin-2-yl)methyl N-methylcarbamate
CID 71362008
2-[[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-methylamino]methyl]-3-methylquinazolin-4-one
CID 170281880

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxypropyl(propan-2-yl)amino]methyl]-3-methylquinazolin-4-one?
The IUPAC name of 2-[[2-hydroxypropyl(propan-2-yl)amino]methyl]-3-methylquinazolin-4-one (CID 111107881) is 2-[[2-hydroxypropyl(propan-2-yl)amino]methyl]-3-methylquinazolin-4-one.
What is the SMILES notation for 2-[[2-hydroxypropyl(propan-2-yl)amino]methyl]-3-methylquinazolin-4-one?
The canonical SMILES for 2-[[2-hydroxypropyl(propan-2-yl)amino]methyl]-3-methylquinazolin-4-one is CC(O)CN(Cc1nc2ccccc2c(=O)n1C)C(C)C.
What is the InChIKey of 2-[[2-hydroxypropyl(propan-2-yl)amino]methyl]-3-methylquinazolin-4-one?
The InChIKey is IRHYCXIUDMZENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)19(9-12(3)20)10-15-17-14-8-6-5-7-13(14)16(21)18(15)4/h5-8,11-12,20H,9-10H2,1-4H3.
What are the key properties of 2-[[2-hydroxypropyl(propan-2-yl)amino]methyl]-3-methylquinazolin-4-one?
2-[[2-hydroxypropyl(propan-2-yl)amino]methyl]-3-methylquinazolin-4-one has a molecular weight of 289.38 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxypropyl(propan-2-yl)amino]methyl]-3-methylquinazolin-4-one is sourced from PubChem (CID 111107881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).