2-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-3H-quinazolin-4-one

C19H21N3O2 — CID 136921650

IUPAC2-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CCN(CCO)Cc2ccccc2)nc2ccccc12
InChIInChI=1S/C19H21N3O2/c23-13-12-22(14-15-6-2-1-3-7-15)11-10-18-20-17-9-5-4-8-16(17)19(24)21-18/h1-9,23H,10-14H2,(H,20,21,24)
InChIKeyMIWCFGZAEFKNOG-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.96
Rot. Bonds7

About 2-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-3H-quinazolin-4-one

2-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-3H-quinazolin-4-one (PubChem CID 136921650) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-3H-quinazolin-4-one
PubChem CID136921650
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CCN(CCO)Cc2ccccc2)nc2ccccc12
InChIInChI=1S/C19H21N3O2/c23-13-12-22(14-15-6-2-1-3-7-15)11-10-18-20-17-9-5-4-8-16(17)19(24)21-18/h1-9,23H,10-14H2,(H,20,21,24)
InChIKeyMIWCFGZAEFKNOG-UHFFFAOYSA-N
XLogP1.96
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 135417617
2-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]-3H-quinazolin-4-one
CID 135960513
4-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzamide
CID 135926229
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)propanamide
CID 135527538
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)methanesulfonamide
CID 135592194
2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)propanamide
CID 135429083
N-benzyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135478145
2-[[2-methoxyethyl-[(4-methylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135750965
3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide
CID 135636453
N-benzyl-2-(difluoromethoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135738144
[(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831692
2-[[(4-ethylphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135512157

Frequently Asked Questions

What is the IUPAC name of 2-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-3H-quinazolin-4-one (CID 136921650) is 2-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-3H-quinazolin-4-one is O=c1[nH]c(CCN(CCO)Cc2ccccc2)nc2ccccc12.
What is the InChIKey of 2-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-3H-quinazolin-4-one?
The InChIKey is MIWCFGZAEFKNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-13-12-22(14-15-6-2-1-3-7-15)11-10-18-20-17-9-5-4-8-16(17)19(24)21-18/h1-9,23H,10-14H2,(H,20,21,24).
What are the key properties of 2-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-3H-quinazolin-4-one?
2-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-3H-quinazolin-4-one has a molecular weight of 323.40 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 136921650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).