7-chloro-3-ethyl-2-[(1S)-1-(hexylamino)ethyl]quinazolin-4-one

C18H26ClN3O — CID 7361055

IUPAC7-chloro-3-ethyl-2-[(1S)-1-(hexylamino)ethyl]quinazolin-4-one
SMILESCCCCCCN[C@@H](C)c1nc2cc(Cl)ccc2c(=O)n1CC
InChIInChI=1S/C18H26ClN3O/c1-4-6-7-8-11-20-13(3)17-21-16-12-14(19)9-10-15(16)18(23)22(17)5-2/h9-10,12-13,20H,4-8,11H2,1-3H3/t13-/m0/s1
InChIKeyHDONOUOKKCPVCM-ZDUSSCGKSA-N
MW335.88 g/mol
LogP4.30
Rot. Bonds8

About 7-chloro-3-ethyl-2-[(1S)-1-(hexylamino)ethyl]quinazolin-4-one

7-chloro-3-ethyl-2-[(1S)-1-(hexylamino)ethyl]quinazolin-4-one (PubChem CID 7361055) has the molecular formula C18H26ClN3O and a molecular weight of 335.88 g/mol. Its IUPAC name is 7-chloro-3-ethyl-2-[(1S)-1-(hexylamino)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-3-ethyl-2-[(1S)-1-(hexylamino)ethyl]quinazolin-4-one
PubChem CID7361055
Molecular FormulaC18H26ClN3O
Molecular Weight335.88 g/mol
Exact Mass335.18
IUPAC Name7-chloro-3-ethyl-2-[(1S)-1-(hexylamino)ethyl]quinazolin-4-one
SMILESCCCCCCN[C@@H](C)c1nc2cc(Cl)ccc2c(=O)n1CC
InChIInChI=1S/C18H26ClN3O/c1-4-6-7-8-11-20-13(3)17-21-16-12-14(19)9-10-15(16)18(23)22(17)5-2/h9-10,12-13,20H,4-8,11H2,1-3H3/t13-/m0/s1
InChIKeyHDONOUOKKCPVCM-ZDUSSCGKSA-N
XLogP4.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-chloro-3-ethyl-2-[(1R)-1-(hexylamino)propyl]quinazolin-4-one
CID 7415245
7-chloro-2-[(1S)-1-(hexylamino)ethyl]-3-methylquinazolin-4-one
CID 7262108
2-[(1S)-1-(butylamino)ethyl]-6-chloro-3-ethylquinazolin-4-one
CID 7301688
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-ethylheptanamide
CID 42712528
3-ethyl-2-[1-(propylamino)ethyl]quinazolin-4-one
CID 5203497
[(1S)-1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-(2-methoxyethyl)azanium
CID 7144752
7-chloro-3-methyl-2-[(1R)-1-(2-methylpropylamino)ethyl]quinazolin-4-one
CID 769633
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-hexyl-2-phenoxyacetamide
CID 42712376
2-[(1R)-1-(butylamino)ethyl]-3-propylquinazolin-4-one
CID 7283524
2-[(1S)-1-(butylamino)ethyl]-3-propylquinazolin-4-one
CID 7283521
7-chloro-2-methylsulfanyl-3-pentylquinazolin-4-one
CID 112777915
N-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-ethylheptanamide
CID 42714113

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-ethyl-2-[(1S)-1-(hexylamino)ethyl]quinazolin-4-one?
The IUPAC name of 7-chloro-3-ethyl-2-[(1S)-1-(hexylamino)ethyl]quinazolin-4-one (CID 7361055) is 7-chloro-3-ethyl-2-[(1S)-1-(hexylamino)ethyl]quinazolin-4-one.
What is the SMILES notation for 7-chloro-3-ethyl-2-[(1S)-1-(hexylamino)ethyl]quinazolin-4-one?
The canonical SMILES for 7-chloro-3-ethyl-2-[(1S)-1-(hexylamino)ethyl]quinazolin-4-one is CCCCCCN[C@@H](C)c1nc2cc(Cl)ccc2c(=O)n1CC.
What is the InChIKey of 7-chloro-3-ethyl-2-[(1S)-1-(hexylamino)ethyl]quinazolin-4-one?
The InChIKey is HDONOUOKKCPVCM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H26ClN3O/c1-4-6-7-8-11-20-13(3)17-21-16-12-14(19)9-10-15(16)18(23)22(17)5-2/h9-10,12-13,20H,4-8,11H2,1-3H3/t13-/m0/s1.
What are the key properties of 7-chloro-3-ethyl-2-[(1S)-1-(hexylamino)ethyl]quinazolin-4-one?
7-chloro-3-ethyl-2-[(1S)-1-(hexylamino)ethyl]quinazolin-4-one has a molecular weight of 335.88 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-ethyl-2-[(1S)-1-(hexylamino)ethyl]quinazolin-4-one is sourced from PubChem (CID 7361055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).