2-[(1R)-1-(hexylamino)propyl]-3-(2-methoxyethyl)quinazolin-4-one

C20H31N3O2 — CID 7226539

IUPAC2-[(1R)-1-(hexylamino)propyl]-3-(2-methoxyethyl)quinazolin-4-one
SMILESCCCCCCN[C@H](CC)c1nc2ccccc2c(=O)n1CCOC
InChIInChI=1S/C20H31N3O2/c1-4-6-7-10-13-21-17(5-2)19-22-18-12-9-8-11-16(18)20(24)23(19)14-15-25-3/h8-9,11-12,17,21H,4-7,10,13-15H2,1-3H3/t17-/m1/s1
InChIKeyRDTXAZXUXSRTRD-QGZVFWFLSA-N
MW345.49 g/mol
LogP3.66
Rot. Bonds11

About 2-[(1R)-1-(hexylamino)propyl]-3-(2-methoxyethyl)quinazolin-4-one

2-[(1R)-1-(hexylamino)propyl]-3-(2-methoxyethyl)quinazolin-4-one (PubChem CID 7226539) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-[(1R)-1-(hexylamino)propyl]-3-(2-methoxyethyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[(1R)-1-(hexylamino)propyl]-3-(2-methoxyethyl)quinazolin-4-one
PubChem CID7226539
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name2-[(1R)-1-(hexylamino)propyl]-3-(2-methoxyethyl)quinazolin-4-one
SMILESCCCCCCN[C@H](CC)c1nc2ccccc2c(=O)n1CCOC
InChIInChI=1S/C20H31N3O2/c1-4-6-7-10-13-21-17(5-2)19-22-18-12-9-8-11-16(18)20(24)23(19)14-15-25-3/h8-9,11-12,17,21H,4-7,10,13-15H2,1-3H3/t17-/m1/s1
InChIKeyRDTXAZXUXSRTRD-QGZVFWFLSA-N
XLogP3.66
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyethyl)-2-[(1R)-1-(2-methylpropylamino)propyl]quinazolin-4-one
CID 7365393
3-(2-methoxyethyl)-2-[(1S)-1-(propylamino)ethyl]quinazolin-4-one
CID 7231165
2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 7493416
3-ethyl-2-[(1S)-1-(propylamino)propyl]quinazolin-4-one
CID 7301405
2-[(1S)-1-(butylamino)ethyl]-3-propylquinazolin-4-one
CID 7283521
2-[(1R)-1-(butylamino)ethyl]-3-propylquinazolin-4-one
CID 7283524
N-ethyl-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]heptanamide
CID 42713390
3-(4-ethylphenyl)-2-[(1S)-1-(pentylamino)propyl]quinazolin-4-one
CID 7201744
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-propylhexanamide
CID 42713415
7-chloro-3-ethyl-2-[(1R)-1-(hexylamino)propyl]quinazolin-4-one
CID 7415245
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylthiophene-2-carboxamide
CID 42717618
3-benzyl-2-[(1S)-1-(benzylamino)propyl]quinazolin-4-one
CID 1051972

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(hexylamino)propyl]-3-(2-methoxyethyl)quinazolin-4-one?
The IUPAC name of 2-[(1R)-1-(hexylamino)propyl]-3-(2-methoxyethyl)quinazolin-4-one (CID 7226539) is 2-[(1R)-1-(hexylamino)propyl]-3-(2-methoxyethyl)quinazolin-4-one.
What is the SMILES notation for 2-[(1R)-1-(hexylamino)propyl]-3-(2-methoxyethyl)quinazolin-4-one?
The canonical SMILES for 2-[(1R)-1-(hexylamino)propyl]-3-(2-methoxyethyl)quinazolin-4-one is CCCCCCN[C@H](CC)c1nc2ccccc2c(=O)n1CCOC.
What is the InChIKey of 2-[(1R)-1-(hexylamino)propyl]-3-(2-methoxyethyl)quinazolin-4-one?
The InChIKey is RDTXAZXUXSRTRD-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-4-6-7-10-13-21-17(5-2)19-22-18-12-9-8-11-16(18)20(24)23(19)14-15-25-3/h8-9,11-12,17,21H,4-7,10,13-15H2,1-3H3/t17-/m1/s1.
What are the key properties of 2-[(1R)-1-(hexylamino)propyl]-3-(2-methoxyethyl)quinazolin-4-one?
2-[(1R)-1-(hexylamino)propyl]-3-(2-methoxyethyl)quinazolin-4-one has a molecular weight of 345.49 g/mol, XLogP of 3.66, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(hexylamino)propyl]-3-(2-methoxyethyl)quinazolin-4-one is sourced from PubChem (CID 7226539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).