2-[[2-(3-bromophenoxy)ethyl-ethylamino]methyl]-3H-quinazolin-4-one

C19H20BrN3O2 — CID 135808096

IUPAC2-[[2-(3-bromophenoxy)ethyl-ethylamino]methyl]-3H-quinazolin-4-one
SMILESCCN(CCOc1cccc(Br)c1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H20BrN3O2/c1-2-23(10-11-25-15-7-5-6-14(20)12-15)13-18-21-17-9-4-3-8-16(17)19(24)22-18/h3-9,12H,2,10-11,13H2,1H3,(H,21,22,24)
InChIKeyZTBAJPNXFJFSOU-UHFFFAOYSA-N
MW402.29 g/mol
LogP3.59
Rot. Bonds7

About 2-[[2-(3-bromophenoxy)ethyl-ethylamino]methyl]-3H-quinazolin-4-one

2-[[2-(3-bromophenoxy)ethyl-ethylamino]methyl]-3H-quinazolin-4-one (PubChem CID 135808096) has the molecular formula C19H20BrN3O2 and a molecular weight of 402.29 g/mol. Its IUPAC name is 2-[[2-(3-bromophenoxy)ethyl-ethylamino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[2-(3-bromophenoxy)ethyl-ethylamino]methyl]-3H-quinazolin-4-one
PubChem CID135808096
Molecular FormulaC19H20BrN3O2
Molecular Weight402.29 g/mol
Exact Mass401.07
IUPAC Name2-[[2-(3-bromophenoxy)ethyl-ethylamino]methyl]-3H-quinazolin-4-one
SMILESCCN(CCOc1cccc(Br)c1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H20BrN3O2/c1-2-23(10-11-25-15-7-5-6-14(20)12-15)13-18-21-17-9-4-3-8-16(17)19(24)22-18/h3-9,12H,2,10-11,13H2,1H3,(H,21,22,24)
InChIKeyZTBAJPNXFJFSOU-UHFFFAOYSA-N
XLogP3.59
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[ethyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135808474
N-ethyl-3-(3-methylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135821067
2-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135415520
2-[[ethyl-[2-(4-methylphenyl)sulfanylethyl]amino]methyl]-3H-quinazolin-4-one
CID 135808168
4-(3-bromophenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-propylbutanamide
CID 136959720
2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135756515
3-bromo-N-butan-2-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135687472
N-ethyl-2-(3-ethylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135821082
2-[[(2-chlorophenyl)methyl-ethylamino]methyl]-3H-quinazolin-4-one
CID 135808290
2-[[2-methoxyethyl-[(4-methylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135750965
N-ethyl-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135824653
3-bromo-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 135783247

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-bromophenoxy)ethyl-ethylamino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[2-(3-bromophenoxy)ethyl-ethylamino]methyl]-3H-quinazolin-4-one (CID 135808096) is 2-[[2-(3-bromophenoxy)ethyl-ethylamino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[2-(3-bromophenoxy)ethyl-ethylamino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[2-(3-bromophenoxy)ethyl-ethylamino]methyl]-3H-quinazolin-4-one is CCN(CCOc1cccc(Br)c1)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[[2-(3-bromophenoxy)ethyl-ethylamino]methyl]-3H-quinazolin-4-one?
The InChIKey is ZTBAJPNXFJFSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O2/c1-2-23(10-11-25-15-7-5-6-14(20)12-15)13-18-21-17-9-4-3-8-16(17)19(24)22-18/h3-9,12H,2,10-11,13H2,1H3,(H,21,22,24).
What are the key properties of 2-[[2-(3-bromophenoxy)ethyl-ethylamino]methyl]-3H-quinazolin-4-one?
2-[[2-(3-bromophenoxy)ethyl-ethylamino]methyl]-3H-quinazolin-4-one has a molecular weight of 402.29 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-bromophenoxy)ethyl-ethylamino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135808096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).