N-[3-(3-methylphenoxy)propyl]quinazolin-4-amine

C18H19N3O — CID 12928959

IUPACN-[3-(3-methylphenoxy)propyl]quinazolin-4-amine
SMILESCc1cccc(OCCCNc2ncnc3ccccc23)c1
InChIInChI=1S/C18H19N3O/c1-14-6-4-7-15(12-14)22-11-5-10-19-18-16-8-2-3-9-17(16)20-13-21-18/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,19,20,21)
InChIKeyVRKRIPFXGNXICL-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.82
Rot. Bonds6

About N-[3-(3-methylphenoxy)propyl]quinazolin-4-amine

N-[3-(3-methylphenoxy)propyl]quinazolin-4-amine (PubChem CID 12928959) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[3-(3-methylphenoxy)propyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[3-(3-methylphenoxy)propyl]quinazolin-4-amine
PubChem CID12928959
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-[3-(3-methylphenoxy)propyl]quinazolin-4-amine
SMILESCc1cccc(OCCCNc2ncnc3ccccc23)c1
InChIInChI=1S/C18H19N3O/c1-14-6-4-7-15(12-14)22-11-5-10-19-18-16-8-2-3-9-17(16)20-13-21-18/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,19,20,21)
InChIKeyVRKRIPFXGNXICL-UHFFFAOYSA-N
XLogP3.82
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.82
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

N-[8-(4-methylphenoxy)octyl]quinazolin-4-amine
CID 20545344
N-(10-phenoxydecyl)quinazolin-4-amine
CID 20545322
N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine
CID 12928811
N-[2-(2-methoxy-4-methylphenoxy)ethyl]quinazolin-4-amine
CID 12928849
1-methyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 17453140
N-[2-[(3-methoxyphenyl)methoxy]ethyl]quinazolin-4-amine
CID 133413555
6-fluoro-N-(3-phenoxypropyl)quinazolin-4-amine
CID 78901232
6-chloro-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-4,5-diamine
CID 55134533
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]quinazolin-4-amine;hydrochloride
CID 24845741
2,6-dimethyl-N-[3-(3-methylphenoxy)propyl]aniline
CID 82096121
N-(3-methylphenyl)quinazolin-4-amine
CID 659954
N-[2-(3-methylphenoxy)ethyl]aniline
CID 54796212

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylphenoxy)propyl]quinazolin-4-amine?
The IUPAC name of N-[3-(3-methylphenoxy)propyl]quinazolin-4-amine (CID 12928959) is N-[3-(3-methylphenoxy)propyl]quinazolin-4-amine.
What is the SMILES notation for N-[3-(3-methylphenoxy)propyl]quinazolin-4-amine?
The canonical SMILES for N-[3-(3-methylphenoxy)propyl]quinazolin-4-amine is Cc1cccc(OCCCNc2ncnc3ccccc23)c1.
What is the InChIKey of N-[3-(3-methylphenoxy)propyl]quinazolin-4-amine?
The InChIKey is VRKRIPFXGNXICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-14-6-4-7-15(12-14)22-11-5-10-19-18-16-8-2-3-9-17(16)20-13-21-18/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,19,20,21).
What are the key properties of N-[3-(3-methylphenoxy)propyl]quinazolin-4-amine?
N-[3-(3-methylphenoxy)propyl]quinazolin-4-amine has a molecular weight of 293.37 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylphenoxy)propyl]quinazolin-4-amine is sourced from PubChem (CID 12928959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).