3-(4-chlorophenyl)-2-[(1R)-1-(3-methylbutylamino)ethyl]quinazolin-4-one

C21H24ClN3O — CID 1052024

IUPAC3-(4-chlorophenyl)-2-[(1R)-1-(3-methylbutylamino)ethyl]quinazolin-4-one
SMILESCC(C)CCN[C@H](C)c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C21H24ClN3O/c1-14(2)12-13-23-15(3)20-24-19-7-5-4-6-18(19)21(26)25(20)17-10-8-16(22)9-11-17/h4-11,14-15,23H,12-13H2,1-3H3/t15-/m1/s1
InChIKeyMHJAZWZDJINJPC-OAHLLOKOSA-N
MW369.90 g/mol
LogP4.74
Rot. Bonds6

About 3-(4-chlorophenyl)-2-[(1R)-1-(3-methylbutylamino)ethyl]quinazolin-4-one

3-(4-chlorophenyl)-2-[(1R)-1-(3-methylbutylamino)ethyl]quinazolin-4-one (PubChem CID 1052024) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-[(1R)-1-(3-methylbutylamino)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-[(1R)-1-(3-methylbutylamino)ethyl]quinazolin-4-one
PubChem CID1052024
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name3-(4-chlorophenyl)-2-[(1R)-1-(3-methylbutylamino)ethyl]quinazolin-4-one
SMILESCC(C)CCN[C@H](C)c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C21H24ClN3O/c1-14(2)12-13-23-15(3)20-24-19-7-5-4-6-18(19)21(26)25(20)17-10-8-16(22)9-11-17/h4-11,14-15,23H,12-13H2,1-3H3/t15-/m1/s1
InChIKeyMHJAZWZDJINJPC-OAHLLOKOSA-N
XLogP4.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(benzylamino)ethyl]-3-(4-chlorophenyl)quinazolin-4-one
CID 4266946
3-(4-chlorophenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one
CID 66690616
7-chloro-2-[(1S)-1-(3-methylbutylamino)ethyl]-3-(4-methylphenyl)quinazolin-4-one
CID 1055158
[(1S)-1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(3-methylbutyl)azanium
CID 7400132
3-(3-chloro-4-fluorophenyl)-2-[(1S)-1-(2-methoxyethylamino)ethyl]quinazolin-4-one
CID 7202003
2-[(1S)-1-(butylamino)ethyl]-3-(4-fluorophenyl)quinazolin-4-one
CID 7481861
[(1R)-1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-pentylazanium
CID 7201809
N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)-2-phenylacetamide
CID 42716765
7-chloro-2-[(1R)-1-(ethylamino)ethyl]-3-(4-methylphenyl)quinazolin-4-one
CID 769847
3-(4-ethoxyphenyl)-2-[(1S)-1-(methylamino)ethyl]quinazolin-4-one
CID 769872
N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)cyclopropanecarboxamide
CID 42715682
2-(4-chlorophenoxy)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)acetamide
CID 42721500

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-[(1R)-1-(3-methylbutylamino)ethyl]quinazolin-4-one?
The IUPAC name of 3-(4-chlorophenyl)-2-[(1R)-1-(3-methylbutylamino)ethyl]quinazolin-4-one (CID 1052024) is 3-(4-chlorophenyl)-2-[(1R)-1-(3-methylbutylamino)ethyl]quinazolin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2-[(1R)-1-(3-methylbutylamino)ethyl]quinazolin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-2-[(1R)-1-(3-methylbutylamino)ethyl]quinazolin-4-one is CC(C)CCN[C@H](C)c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-[(1R)-1-(3-methylbutylamino)ethyl]quinazolin-4-one?
The InChIKey is MHJAZWZDJINJPC-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24ClN3O/c1-14(2)12-13-23-15(3)20-24-19-7-5-4-6-18(19)21(26)25(20)17-10-8-16(22)9-11-17/h4-11,14-15,23H,12-13H2,1-3H3/t15-/m1/s1.
What are the key properties of 3-(4-chlorophenyl)-2-[(1R)-1-(3-methylbutylamino)ethyl]quinazolin-4-one?
3-(4-chlorophenyl)-2-[(1R)-1-(3-methylbutylamino)ethyl]quinazolin-4-one has a molecular weight of 369.90 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-[(1R)-1-(3-methylbutylamino)ethyl]quinazolin-4-one is sourced from PubChem (CID 1052024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).