4-[3-[(6-methylquinazolin-4-yl)amino]propyl]phenol

C18H19N3O — CID 99780714

IUPAC4-[3-[(6-methylquinazolin-4-yl)amino]propyl]phenol
SMILESCc1ccc2ncnc(NCCCc3ccc(O)cc3)c2c1
InChIInChI=1S/C18H19N3O/c1-13-4-9-17-16(11-13)18(21-12-20-17)19-10-2-3-14-5-7-15(22)8-6-14/h4-9,11-12,22H,2-3,10H2,1H3,(H,19,20,21)
InChIKeyUJFVARWSOVIVLZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.69
Rot. Bonds5

About 4-[3-[(6-methylquinazolin-4-yl)amino]propyl]phenol

4-[3-[(6-methylquinazolin-4-yl)amino]propyl]phenol (PubChem CID 99780714) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[3-[(6-methylquinazolin-4-yl)amino]propyl]phenol.

Molecular Properties

Compound Name4-[3-[(6-methylquinazolin-4-yl)amino]propyl]phenol
PubChem CID99780714
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name4-[3-[(6-methylquinazolin-4-yl)amino]propyl]phenol
SMILESCc1ccc2ncnc(NCCCc3ccc(O)cc3)c2c1
InChIInChI=1S/C18H19N3O/c1-13-4-9-17-16(11-13)18(21-12-20-17)19-10-2-3-14-5-7-15(22)8-6-14/h4-9,11-12,22H,2-3,10H2,1H3,(H,19,20,21)
InChIKeyUJFVARWSOVIVLZ-UHFFFAOYSA-N
XLogP3.69
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(6-methylquinazolin-4-yl)amino]propyl]phenol?
The IUPAC name of 4-[3-[(6-methylquinazolin-4-yl)amino]propyl]phenol (CID 99780714) is 4-[3-[(6-methylquinazolin-4-yl)amino]propyl]phenol.
What is the SMILES notation for 4-[3-[(6-methylquinazolin-4-yl)amino]propyl]phenol?
The canonical SMILES for 4-[3-[(6-methylquinazolin-4-yl)amino]propyl]phenol is Cc1ccc2ncnc(NCCCc3ccc(O)cc3)c2c1.
What is the InChIKey of 4-[3-[(6-methylquinazolin-4-yl)amino]propyl]phenol?
The InChIKey is UJFVARWSOVIVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13-4-9-17-16(11-13)18(21-12-20-17)19-10-2-3-14-5-7-15(22)8-6-14/h4-9,11-12,22H,2-3,10H2,1H3,(H,19,20,21).
What are the key properties of 4-[3-[(6-methylquinazolin-4-yl)amino]propyl]phenol?
4-[3-[(6-methylquinazolin-4-yl)amino]propyl]phenol has a molecular weight of 293.37 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(6-methylquinazolin-4-yl)amino]propyl]phenol is sourced from PubChem (CID 99780714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).