2-[1-[2-(4-chlorophenoxy)ethyl-methylamino]ethyl]-3H-quinazolin-4-one

C19H20ClN3O2 — CID 135512252

IUPAC2-[1-[2-(4-chlorophenoxy)ethyl-methylamino]ethyl]-3H-quinazolin-4-one
SMILESCC(c1nc2ccccc2c(=O)[nH]1)N(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3O2/c1-13(18-21-17-6-4-3-5-16(17)19(24)22-18)23(2)11-12-25-15-9-7-14(20)8-10-15/h3-10,13H,11-12H2,1-2H3,(H,21,22,24)
InChIKeyXGIAWOBGAUDYKE-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.65
Rot. Bonds6

About 2-[1-[2-(4-chlorophenoxy)ethyl-methylamino]ethyl]-3H-quinazolin-4-one

2-[1-[2-(4-chlorophenoxy)ethyl-methylamino]ethyl]-3H-quinazolin-4-one (PubChem CID 135512252) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 2-[1-[2-(4-chlorophenoxy)ethyl-methylamino]ethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[1-[2-(4-chlorophenoxy)ethyl-methylamino]ethyl]-3H-quinazolin-4-one
PubChem CID135512252
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name2-[1-[2-(4-chlorophenoxy)ethyl-methylamino]ethyl]-3H-quinazolin-4-one
SMILESCC(c1nc2ccccc2c(=O)[nH]1)N(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3O2/c1-13(18-21-17-6-4-3-5-16(17)19(24)22-18)23(2)11-12-25-15-9-7-14(20)8-10-15/h3-10,13H,11-12H2,1-2H3,(H,21,22,24)
InChIKeyXGIAWOBGAUDYKE-UHFFFAOYSA-N
XLogP3.65
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Erastin
CID 11214940
3-(2-ethoxyphenyl)-2-(1-piperazinylmethyl)-4(3H)-quinazolinone
CID 11559627
N-[4-(4-chlorophenoxy)cyclohexyl]-3-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 136240109
2-phenoxymethyl-3H-quinazolin-4-one
CID 135416161
N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-(4-chlorophenoxy)-N-(2-phenylethyl)acetamide
CID 5037142
2-[(E)-2-(3-prop-2-enoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135681131
3-Amino-2-[(3-chlorophenoxy)methyl]-4(3H)-quinazolinone
CID 589404
2-(4-chlorophenyl)-3-(4-(2-ethoxyphenoxy)butyl)quinazolin-4(3H)-one
CID 1598042
2-(4-chlorophenyl)-3-(4-(4-fluorophenoxy)butyl)quinazolin-4(3H)-one
CID 1639321
2-(3-Chlorophenyl)-N-(1-methylethyl)-4-oxo-6-[3-(1-piperidinyl)propoxy]-3(4H)-quinazolineacetamide
CID 11854507
2-(2-(3-chlorophenyl)-6-(3-morpholinopropoxy)-4-oxoquinazolin-3(4H)-yl)-N-isopropylacetamide
CID 53318916
2-(2-(3-chlorophenyl)-6-(3-morpholinopropoxy)-4-oxoquinazolin-3(4H)-yl)-N-(cyclopropylmethyl)acetamide
CID 53322164

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-chlorophenoxy)ethyl-methylamino]ethyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[1-[2-(4-chlorophenoxy)ethyl-methylamino]ethyl]-3H-quinazolin-4-one (CID 135512252) is 2-[1-[2-(4-chlorophenoxy)ethyl-methylamino]ethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[1-[2-(4-chlorophenoxy)ethyl-methylamino]ethyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[1-[2-(4-chlorophenoxy)ethyl-methylamino]ethyl]-3H-quinazolin-4-one is CC(c1nc2ccccc2c(=O)[nH]1)N(C)CCOc1ccc(Cl)cc1.
What is the InChIKey of 2-[1-[2-(4-chlorophenoxy)ethyl-methylamino]ethyl]-3H-quinazolin-4-one?
The InChIKey is XGIAWOBGAUDYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-13(18-21-17-6-4-3-5-16(17)19(24)22-18)23(2)11-12-25-15-9-7-14(20)8-10-15/h3-10,13H,11-12H2,1-2H3,(H,21,22,24).
What are the key properties of 2-[1-[2-(4-chlorophenoxy)ethyl-methylamino]ethyl]-3H-quinazolin-4-one?
2-[1-[2-(4-chlorophenoxy)ethyl-methylamino]ethyl]-3H-quinazolin-4-one has a molecular weight of 357.84 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-chlorophenoxy)ethyl-methylamino]ethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135512252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).