3-butan-2-yl-5-chloro-2-[1-(methylamino)ethyl]quinazolin-4-one

C15H20ClN3O — CID 123933118

IUPAC3-butan-2-yl-5-chloro-2-[1-(methylamino)ethyl]quinazolin-4-one
SMILESCCC(C)n1c(C(C)NC)nc2cccc(Cl)c2c1=O
InChIInChI=1S/C15H20ClN3O/c1-5-9(2)19-14(10(3)17-4)18-12-8-6-7-11(16)13(12)15(19)20/h6-10,17H,5H2,1-4H3
InChIKeyMLJZCWHBJSHMKL-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.30
Rot. Bonds4

About 3-butan-2-yl-5-chloro-2-[1-(methylamino)ethyl]quinazolin-4-one

3-butan-2-yl-5-chloro-2-[1-(methylamino)ethyl]quinazolin-4-one (PubChem CID 123933118) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 3-butan-2-yl-5-chloro-2-[1-(methylamino)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-butan-2-yl-5-chloro-2-[1-(methylamino)ethyl]quinazolin-4-one
PubChem CID123933118
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name3-butan-2-yl-5-chloro-2-[1-(methylamino)ethyl]quinazolin-4-one
SMILESCCC(C)n1c(C(C)NC)nc2cccc(Cl)c2c1=O
InChIInChI=1S/C15H20ClN3O/c1-5-9(2)19-14(10(3)17-4)18-12-8-6-7-11(16)13(12)15(19)20/h6-10,17H,5H2,1-4H3
InChIKeyMLJZCWHBJSHMKL-UHFFFAOYSA-N
XLogP3.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-[(1S)-1-(methylamino)ethyl]-3-piperazin-1-ylquinazolin-4-one
CID 155183311
2,5-dichloro-3-[2-(methylamino)propyl]quinazolin-4-one
CID 117263733
3-amino-2-(1-aminoethyl)-5-chloroquinazolin-4-one
CID 123454317
4-amino-6-[[(1S)-1-[3-(4-aminobutan-2-yl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 118573675
2-(1-aminopropyl)-5-chloro-3-phenylquinazolin-4-one;hydrochloride
CID 155191424
1-[5-chloro-3-(3-methoxy-2-methylphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid
CID 90233105
2-(1-aminoethyl)-5-chloro-3-(2-ethoxyethyl)quinazolin-4-one
CID 118573947
2-(1-aminoethyl)-5-chloro-3-[(2-chlorophenyl)methyl]quinazolin-4-one
CID 155000155
2-[(1S)-1-aminopropyl]-5-chloro-3-(4-fluoroanilino)quinazolin-4-one;hydrochloride
CID 141459104
1-[5-chloro-3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid
CID 90234958
tert-butyl N-[1-(5-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]carbamate
CID 123348346
2-chloro-5-hydroxy-3-[1-(methylamino)ethyl]quinazolin-4-one
CID 117263689

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-5-chloro-2-[1-(methylamino)ethyl]quinazolin-4-one?
The IUPAC name of 3-butan-2-yl-5-chloro-2-[1-(methylamino)ethyl]quinazolin-4-one (CID 123933118) is 3-butan-2-yl-5-chloro-2-[1-(methylamino)ethyl]quinazolin-4-one.
What is the SMILES notation for 3-butan-2-yl-5-chloro-2-[1-(methylamino)ethyl]quinazolin-4-one?
The canonical SMILES for 3-butan-2-yl-5-chloro-2-[1-(methylamino)ethyl]quinazolin-4-one is CCC(C)n1c(C(C)NC)nc2cccc(Cl)c2c1=O.
What is the InChIKey of 3-butan-2-yl-5-chloro-2-[1-(methylamino)ethyl]quinazolin-4-one?
The InChIKey is MLJZCWHBJSHMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-5-9(2)19-14(10(3)17-4)18-12-8-6-7-11(16)13(12)15(19)20/h6-10,17H,5H2,1-4H3.
What are the key properties of 3-butan-2-yl-5-chloro-2-[1-(methylamino)ethyl]quinazolin-4-one?
3-butan-2-yl-5-chloro-2-[1-(methylamino)ethyl]quinazolin-4-one has a molecular weight of 293.80 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-5-chloro-2-[1-(methylamino)ethyl]quinazolin-4-one is sourced from PubChem (CID 123933118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).