6-(3-methylphenoxy)-3-propyl-4H-quinazolin-2-amine

C18H21N3O — CID 163562006

IUPAC6-(3-methylphenoxy)-3-propyl-4H-quinazolin-2-amine
SMILESCCCN1Cc2cc(Oc3cccc(C)c3)ccc2N=C1N
InChIInChI=1S/C18H21N3O/c1-3-9-21-12-14-11-16(7-8-17(14)20-18(21)19)22-15-6-4-5-13(2)10-15/h4-8,10-11H,3,9,12H2,1-2H3,(H2,19,20)
InChIKeyFRZTWGIKVPJJSN-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.96
Rot. Bonds4

About 6-(3-methylphenoxy)-3-propyl-4H-quinazolin-2-amine

6-(3-methylphenoxy)-3-propyl-4H-quinazolin-2-amine (PubChem CID 163562006) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 6-(3-methylphenoxy)-3-propyl-4H-quinazolin-2-amine.

Molecular Properties

Compound Name6-(3-methylphenoxy)-3-propyl-4H-quinazolin-2-amine
PubChem CID163562006
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name6-(3-methylphenoxy)-3-propyl-4H-quinazolin-2-amine
SMILESCCCN1Cc2cc(Oc3cccc(C)c3)ccc2N=C1N
InChIInChI=1S/C18H21N3O/c1-3-9-21-12-14-11-16(7-8-17(14)20-18(21)19)22-15-6-4-5-13(2)10-15/h4-8,10-11H,3,9,12H2,1-2H3,(H2,19,20)
InChIKeyFRZTWGIKVPJJSN-UHFFFAOYSA-N
XLogP3.96
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-propyl-4H-quinazolin-6-yl)oxy]benzonitrile
CID 91228252
4-(3-methylphenoxy)benzene-1,2-diamine
CID 10488820
1-ethyl-4-(3-methylphenoxy)benzene
CID 54200256
(3-methylphenyl) 4-(2-oxo-3-propylimidazolidin-1-yl)benzenesulfonate
CID 53372742
2,4-bis(3-methylphenoxy)aniline
CID 34173748
6,15,25,34-tetrakis(3-methylphenoxy)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10(40),11,13(18),14,16,19(39),20,22(27),23,25,28(38),29,31(36),32,34-icosaene
CID 22894627
1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
CID 22967305
2-chloro-4-(3-methylphenoxy)aniline
CID 106701509
(1S)-1-[4-(3-methylphenoxy)phenyl]propan-1-amine
CID 103739064
3-methylaniline;1-methyl-3-phenoxybenzene
CID 144834027
bis(3-methylphenoxy)-propylphosphane
CID 175546561
[4-(3-methylphenoxy)phenyl]hydrazine
CID 69023705

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylphenoxy)-3-propyl-4H-quinazolin-2-amine?
The IUPAC name of 6-(3-methylphenoxy)-3-propyl-4H-quinazolin-2-amine (CID 163562006) is 6-(3-methylphenoxy)-3-propyl-4H-quinazolin-2-amine.
What is the SMILES notation for 6-(3-methylphenoxy)-3-propyl-4H-quinazolin-2-amine?
The canonical SMILES for 6-(3-methylphenoxy)-3-propyl-4H-quinazolin-2-amine is CCCN1Cc2cc(Oc3cccc(C)c3)ccc2N=C1N.
What is the InChIKey of 6-(3-methylphenoxy)-3-propyl-4H-quinazolin-2-amine?
The InChIKey is FRZTWGIKVPJJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-3-9-21-12-14-11-16(7-8-17(14)20-18(21)19)22-15-6-4-5-13(2)10-15/h4-8,10-11H,3,9,12H2,1-2H3,(H2,19,20).
What are the key properties of 6-(3-methylphenoxy)-3-propyl-4H-quinazolin-2-amine?
6-(3-methylphenoxy)-3-propyl-4H-quinazolin-2-amine has a molecular weight of 295.39 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylphenoxy)-3-propyl-4H-quinazolin-2-amine is sourced from PubChem (CID 163562006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).