4-hexoxy-N-methylquinazolin-2-amine

C15H21N3O — CID 80860948

IUPAC4-hexoxy-N-methylquinazolin-2-amine
SMILESCCCCCCOc1nc(NC)nc2ccccc12
InChIInChI=1S/C15H21N3O/c1-3-4-5-8-11-19-14-12-9-6-7-10-13(12)17-15(16-2)18-14/h6-7,9-10H,3-5,8,11H2,1-2H3,(H,16,17,18)
InChIKeySYBYNHPZRKFERT-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.63
Rot. Bonds7

About 4-hexoxy-N-methylquinazolin-2-amine

4-hexoxy-N-methylquinazolin-2-amine (PubChem CID 80860948) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-hexoxy-N-methylquinazolin-2-amine.

Molecular Properties

Compound Name4-hexoxy-N-methylquinazolin-2-amine
PubChem CID80860948
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-hexoxy-N-methylquinazolin-2-amine
SMILESCCCCCCOc1nc(NC)nc2ccccc12
InChIInChI=1S/C15H21N3O/c1-3-4-5-8-11-19-14-12-9-6-7-10-13(12)17-15(16-2)18-14/h6-7,9-10H,3-5,8,11H2,1-2H3,(H,16,17,18)
InChIKeySYBYNHPZRKFERT-UHFFFAOYSA-N
XLogP3.63
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.63
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

4-[3-(dimethylamino)propoxy]-N-methylquinazolin-2-amine
CID 80870725
N-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]quinazolin-2-amine
CID 115943140
N-ethyl-4-propoxyquinazolin-2-amine
CID 80867291
N-methyl-4-(2-piperidin-1-ylethoxy)quinazolin-2-amine
CID 80879172
2,3-didodecoxyquinoxaline
CID 139934452
4-(3-methoxypropoxy)-N-propylquinazolin-2-amine
CID 80866995
N-(4-propoxyquinazolin-2-yl)methanesulfonamide
CID 69085012
2-N-methyl-4-N-octan-2-ylquinazoline-2,4-diamine
CID 80782825
6-methoxy-N-methyl-4-propoxyquinazolin-2-amine
CID 68764618
4-ethoxy-N-phenylquinazolin-2-amine
CID 134868632
2-(4-ethylpiperazin-1-yl)-4-pentoxyquinazoline
CID 3076014
2-chloro-4-propoxyquinazoline
CID 62477512

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-N-methylquinazolin-2-amine?
The IUPAC name of 4-hexoxy-N-methylquinazolin-2-amine (CID 80860948) is 4-hexoxy-N-methylquinazolin-2-amine.
What is the SMILES notation for 4-hexoxy-N-methylquinazolin-2-amine?
The canonical SMILES for 4-hexoxy-N-methylquinazolin-2-amine is CCCCCCOc1nc(NC)nc2ccccc12.
What is the InChIKey of 4-hexoxy-N-methylquinazolin-2-amine?
The InChIKey is SYBYNHPZRKFERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-4-5-8-11-19-14-12-9-6-7-10-13(12)17-15(16-2)18-14/h6-7,9-10H,3-5,8,11H2,1-2H3,(H,16,17,18).
What are the key properties of 4-hexoxy-N-methylquinazolin-2-amine?
4-hexoxy-N-methylquinazolin-2-amine has a molecular weight of 259.35 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-N-methylquinazolin-2-amine is sourced from PubChem (CID 80860948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).