4-(3-methoxypropoxy)-N-propylquinazolin-2-amine

C15H21N3O2 — CID 80866995

IUPAC4-(3-methoxypropoxy)-N-propylquinazolin-2-amine
SMILESCCCNc1nc(OCCCOC)c2ccccc2n1
InChIInChI=1S/C15H21N3O2/c1-3-9-16-15-17-13-8-5-4-7-12(13)14(18-15)20-11-6-10-19-2/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,16,17,18)
InChIKeyCUHQWUYYPZQMJH-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.87
Rot. Bonds8

About 4-(3-methoxypropoxy)-N-propylquinazolin-2-amine

4-(3-methoxypropoxy)-N-propylquinazolin-2-amine (PubChem CID 80866995) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-(3-methoxypropoxy)-N-propylquinazolin-2-amine.

Molecular Properties

Compound Name4-(3-methoxypropoxy)-N-propylquinazolin-2-amine
PubChem CID80866995
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-(3-methoxypropoxy)-N-propylquinazolin-2-amine
SMILESCCCNc1nc(OCCCOC)c2ccccc2n1
InChIInChI=1S/C15H21N3O2/c1-3-9-16-15-17-13-8-5-4-7-12(13)14(18-15)20-11-6-10-19-2/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,16,17,18)
InChIKeyCUHQWUYYPZQMJH-UHFFFAOYSA-N
XLogP2.87
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.87
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

N-ethyl-4-propoxyquinazolin-2-amine
CID 80867291
4-(2-methylpentoxy)-N-propylquinazolin-2-amine
CID 103286409
4-hexoxy-N-methylquinazolin-2-amine
CID 80860948
4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylquinazolin-2-amine
CID 106598677
2-N-ethyl-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 80771309
3-methoxy-2-[[2-(propylamino)quinazolin-4-yl]amino]propan-1-ol
CID 106198698
N-(4-propoxyquinazolin-2-yl)methanesulfonamide
CID 69085012
N-[3-(2-methoxyethoxy)propyl]-4-phenylquinazolin-2-amine
CID 86910075
N-[[1-(3-methoxypropoxy)isoquinolin-3-yl]methyl]propan-1-amine
CID 62288617
4-N,4-N-dimethyl-2-N-propylquinazoline-2,4-diamine
CID 80765400
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

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropoxy)-N-propylquinazolin-2-amine?
The IUPAC name of 4-(3-methoxypropoxy)-N-propylquinazolin-2-amine (CID 80866995) is 4-(3-methoxypropoxy)-N-propylquinazolin-2-amine.
What is the SMILES notation for 4-(3-methoxypropoxy)-N-propylquinazolin-2-amine?
The canonical SMILES for 4-(3-methoxypropoxy)-N-propylquinazolin-2-amine is CCCNc1nc(OCCCOC)c2ccccc2n1.
What is the InChIKey of 4-(3-methoxypropoxy)-N-propylquinazolin-2-amine?
The InChIKey is CUHQWUYYPZQMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-9-16-15-17-13-8-5-4-7-12(13)14(18-15)20-11-6-10-19-2/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,16,17,18).
What are the key properties of 4-(3-methoxypropoxy)-N-propylquinazolin-2-amine?
4-(3-methoxypropoxy)-N-propylquinazolin-2-amine has a molecular weight of 275.35 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropoxy)-N-propylquinazolin-2-amine is sourced from PubChem (CID 80866995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).