4-(2-methylpentoxy)-N-propylquinazolin-2-amine

C17H25N3O — CID 103286409

IUPAC4-(2-methylpentoxy)-N-propylquinazolin-2-amine
SMILESCCCNc1nc(OCC(C)CCC)c2ccccc2n1
InChIInChI=1S/C17H25N3O/c1-4-8-13(3)12-21-16-14-9-6-7-10-15(14)19-17(20-16)18-11-5-2/h6-7,9-10,13H,4-5,8,11-12H2,1-3H3,(H,18,19,20)
InChIKeyFWSHSIYBUGCCJZ-UHFFFAOYSA-N
MW287.41 g/mol
LogP4.27
Rot. Bonds8

About 4-(2-methylpentoxy)-N-propylquinazolin-2-amine

4-(2-methylpentoxy)-N-propylquinazolin-2-amine (PubChem CID 103286409) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-(2-methylpentoxy)-N-propylquinazolin-2-amine.

Molecular Properties

Compound Name4-(2-methylpentoxy)-N-propylquinazolin-2-amine
PubChem CID103286409
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name4-(2-methylpentoxy)-N-propylquinazolin-2-amine
SMILESCCCNc1nc(OCC(C)CCC)c2ccccc2n1
InChIInChI=1S/C17H25N3O/c1-4-8-13(3)12-21-16-14-9-6-7-10-15(14)19-17(20-16)18-11-5-2/h6-7,9-10,13H,4-5,8,11-12H2,1-3H3,(H,18,19,20)
InChIKeyFWSHSIYBUGCCJZ-UHFFFAOYSA-N
XLogP4.27
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methoxypropoxy)-N-propylquinazolin-2-amine
CID 80866995
N-ethyl-4-propoxyquinazolin-2-amine
CID 80867291
4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylquinazolin-2-amine
CID 106598677
4-(3-methylbutylsulfanyl)-N-propylquinazolin-2-amine
CID 107765966
4-N-(3-methylbutan-2-yl)-2-N-propylquinazoline-2,4-diamine
CID 80753533
4-N,4-N-dimethyl-2-N-propylquinazoline-2,4-diamine
CID 80765400
N-[[1-(2-methylpentoxy)isoquinolin-3-yl]methyl]ethanamine
CID 103285490
3,5-dichloro-6-(2-methylpentoxy)-N-propylpyridin-2-amine
CID 103286396
3-methoxy-2-[[2-(propylamino)quinazolin-4-yl]amino]propan-1-ol
CID 106198698
2-(2-methylpentoxy)quinoline-4-carboxylic acid
CID 103283216
4-[2-(dimethylamino)-2-methylpropoxy]-N-ethylquinazolin-2-amine
CID 80871922
(2S)-3-methyl-2-[[2-(propylamino)quinazolin-4-yl]amino]butan-1-ol
CID 80835823

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpentoxy)-N-propylquinazolin-2-amine?
The IUPAC name of 4-(2-methylpentoxy)-N-propylquinazolin-2-amine (CID 103286409) is 4-(2-methylpentoxy)-N-propylquinazolin-2-amine.
What is the SMILES notation for 4-(2-methylpentoxy)-N-propylquinazolin-2-amine?
The canonical SMILES for 4-(2-methylpentoxy)-N-propylquinazolin-2-amine is CCCNc1nc(OCC(C)CCC)c2ccccc2n1.
What is the InChIKey of 4-(2-methylpentoxy)-N-propylquinazolin-2-amine?
The InChIKey is FWSHSIYBUGCCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-8-13(3)12-21-16-14-9-6-7-10-15(14)19-17(20-16)18-11-5-2/h6-7,9-10,13H,4-5,8,11-12H2,1-3H3,(H,18,19,20).
What are the key properties of 4-(2-methylpentoxy)-N-propylquinazolin-2-amine?
4-(2-methylpentoxy)-N-propylquinazolin-2-amine has a molecular weight of 287.41 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpentoxy)-N-propylquinazolin-2-amine is sourced from PubChem (CID 103286409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).