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

C19H28ClN3O — CID 7415245

IUPAC7-chloro-3-ethyl-2-[(1R)-1-(hexylamino)propyl]quinazolin-4-one
SMILESCCCCCCN[C@H](CC)c1nc2cc(Cl)ccc2c(=O)n1CC
InChIInChI=1S/C19H28ClN3O/c1-4-7-8-9-12-21-16(5-2)18-22-17-13-14(20)10-11-15(17)19(24)23(18)6-3/h10-11,13,16,21H,4-9,12H2,1-3H3/t16-/m1/s1
InChIKeyHALBDOPREIINPG-MRXNPFEDSA-N
MW349.91 g/mol
LogP4.69
Rot. Bonds9

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

7-chloro-3-ethyl-2-[(1R)-1-(hexylamino)propyl]quinazolin-4-one (PubChem CID 7415245) has the molecular formula C19H28ClN3O and a molecular weight of 349.91 g/mol. Its IUPAC name is 7-chloro-3-ethyl-2-[(1R)-1-(hexylamino)propyl]quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-3-ethyl-2-[(1R)-1-(hexylamino)propyl]quinazolin-4-one
PubChem CID7415245
Molecular FormulaC19H28ClN3O
Molecular Weight349.91 g/mol
Exact Mass349.19
IUPAC Name7-chloro-3-ethyl-2-[(1R)-1-(hexylamino)propyl]quinazolin-4-one
SMILESCCCCCCN[C@H](CC)c1nc2cc(Cl)ccc2c(=O)n1CC
InChIInChI=1S/C19H28ClN3O/c1-4-7-8-9-12-21-16(5-2)18-22-17-13-14(20)10-11-15(17)19(24)23(18)6-3/h10-11,13,16,21H,4-9,12H2,1-3H3/t16-/m1/s1
InChIKeyHALBDOPREIINPG-MRXNPFEDSA-N
XLogP4.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 54.69
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-[(1S)-1-(hexylamino)ethyl]quinazolin-4-one
CID 7361055
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
3-ethyl-2-[(1S)-1-(propylamino)propyl]quinazolin-4-one
CID 7301405
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-ethylheptanamide
CID 42712528
3-benzyl-7-chloro-2-[1-(2-methylpropylamino)propyl]quinazolin-4-one
CID 20785808
2-[(1R)-1-(hexylamino)propyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 7226539
3-(3-chlorophenyl)-2-[(1R)-1-(propylamino)propyl]quinazolin-4-one
CID 7288970
[(1S)-1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-(2-methoxyethyl)azanium
CID 7144752
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-hexyl-2-phenoxyacetamide
CID 42712376
7-chloro-2-methylsulfanyl-3-pentylquinazolin-4-one
CID 112777915
3-(4-ethylphenyl)-2-[(1S)-1-(pentylamino)propyl]quinazolin-4-one
CID 7201744

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-ethyl-2-[(1R)-1-(hexylamino)propyl]quinazolin-4-one?
The IUPAC name of 7-chloro-3-ethyl-2-[(1R)-1-(hexylamino)propyl]quinazolin-4-one (CID 7415245) is 7-chloro-3-ethyl-2-[(1R)-1-(hexylamino)propyl]quinazolin-4-one.
What is the SMILES notation for 7-chloro-3-ethyl-2-[(1R)-1-(hexylamino)propyl]quinazolin-4-one?
The canonical SMILES for 7-chloro-3-ethyl-2-[(1R)-1-(hexylamino)propyl]quinazolin-4-one is CCCCCCN[C@H](CC)c1nc2cc(Cl)ccc2c(=O)n1CC.
What is the InChIKey of 7-chloro-3-ethyl-2-[(1R)-1-(hexylamino)propyl]quinazolin-4-one?
The InChIKey is HALBDOPREIINPG-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28ClN3O/c1-4-7-8-9-12-21-16(5-2)18-22-17-13-14(20)10-11-15(17)19(24)23(18)6-3/h10-11,13,16,21H,4-9,12H2,1-3H3/t16-/m1/s1.
What are the key properties of 7-chloro-3-ethyl-2-[(1R)-1-(hexylamino)propyl]quinazolin-4-one?
7-chloro-3-ethyl-2-[(1R)-1-(hexylamino)propyl]quinazolin-4-one has a molecular weight of 349.91 g/mol, XLogP of 4.69, 9 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-[(1R)-1-(hexylamino)propyl]quinazolin-4-one is sourced from PubChem (CID 7415245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).