N-[2-(2-chlorophenoxy)propyl]quinazolin-4-amine

C17H16ClN3O — CID 12928989

IUPACN-[2-(2-chlorophenoxy)propyl]quinazolin-4-amine
SMILESCC(CNc1ncnc2ccccc12)Oc1ccccc1Cl
InChIInChI=1S/C17H16ClN3O/c1-12(22-16-9-5-3-7-14(16)18)10-19-17-13-6-2-4-8-15(13)20-11-21-17/h2-9,11-12H,10H2,1H3,(H,19,20,21)
InChIKeyLBRFYSXFBCDIKP-UHFFFAOYSA-N
MW313.79 g/mol
LogP4.16
Rot. Bonds5

About N-[2-(2-chlorophenoxy)propyl]quinazolin-4-amine

N-[2-(2-chlorophenoxy)propyl]quinazolin-4-amine (PubChem CID 12928989) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)propyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)propyl]quinazolin-4-amine
PubChem CID12928989
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC NameN-[2-(2-chlorophenoxy)propyl]quinazolin-4-amine
SMILESCC(CNc1ncnc2ccccc12)Oc1ccccc1Cl
InChIInChI=1S/C17H16ClN3O/c1-12(22-16-9-5-3-7-14(16)18)10-19-17-13-6-2-4-8-15(13)20-11-21-17/h2-9,11-12H,10H2,1H3,(H,19,20,21)
InChIKeyLBRFYSXFBCDIKP-UHFFFAOYSA-N
XLogP4.16
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)propyl]quinazolin-4-amine?
The IUPAC name of N-[2-(2-chlorophenoxy)propyl]quinazolin-4-amine (CID 12928989) is N-[2-(2-chlorophenoxy)propyl]quinazolin-4-amine.
What is the SMILES notation for N-[2-(2-chlorophenoxy)propyl]quinazolin-4-amine?
The canonical SMILES for N-[2-(2-chlorophenoxy)propyl]quinazolin-4-amine is CC(CNc1ncnc2ccccc12)Oc1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenoxy)propyl]quinazolin-4-amine?
The InChIKey is LBRFYSXFBCDIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-12(22-16-9-5-3-7-14(16)18)10-19-17-13-6-2-4-8-15(13)20-11-21-17/h2-9,11-12H,10H2,1H3,(H,19,20,21).
What are the key properties of N-[2-(2-chlorophenoxy)propyl]quinazolin-4-amine?
N-[2-(2-chlorophenoxy)propyl]quinazolin-4-amine has a molecular weight of 313.79 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)propyl]quinazolin-4-amine is sourced from PubChem (CID 12928989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).