4-[4-(2-methoxyphenoxy)butyl]quinazolin-2-amine

C19H21N3O2 — CID 154004944

IUPAC4-[4-(2-methoxyphenoxy)butyl]quinazolin-2-amine
SMILESCOc1ccccc1OCCCCc1nc(N)nc2ccccc12
InChIInChI=1S/C19H21N3O2/c1-23-17-11-4-5-12-18(17)24-13-7-6-10-16-14-8-2-3-9-15(14)21-19(20)22-16/h2-5,8-9,11-12H,6-7,10,13H2,1H3,(H2,20,21,22)
InChIKeyJRQXUDARXVMMHD-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.62
Rot. Bonds7

About 4-[4-(2-methoxyphenoxy)butyl]quinazolin-2-amine

4-[4-(2-methoxyphenoxy)butyl]quinazolin-2-amine (PubChem CID 154004944) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenoxy)butyl]quinazolin-2-amine.

Molecular Properties

Compound Name4-[4-(2-methoxyphenoxy)butyl]quinazolin-2-amine
PubChem CID154004944
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name4-[4-(2-methoxyphenoxy)butyl]quinazolin-2-amine
SMILESCOc1ccccc1OCCCCc1nc(N)nc2ccccc12
InChIInChI=1S/C19H21N3O2/c1-23-17-11-4-5-12-18(17)24-13-7-6-10-16-14-8-2-3-9-15(14)21-19(20)22-16/h2-5,8-9,11-12H,6-7,10,13H2,1H3,(H2,20,21,22)
InChIKeyJRQXUDARXVMMHD-UHFFFAOYSA-N
XLogP3.62
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[4-(2-methoxyphenoxy)butyl]quinazolin-2-amine?
The IUPAC name of 4-[4-(2-methoxyphenoxy)butyl]quinazolin-2-amine (CID 154004944) is 4-[4-(2-methoxyphenoxy)butyl]quinazolin-2-amine.
What is the SMILES notation for 4-[4-(2-methoxyphenoxy)butyl]quinazolin-2-amine?
The canonical SMILES for 4-[4-(2-methoxyphenoxy)butyl]quinazolin-2-amine is COc1ccccc1OCCCCc1nc(N)nc2ccccc12.
What is the InChIKey of 4-[4-(2-methoxyphenoxy)butyl]quinazolin-2-amine?
The InChIKey is JRQXUDARXVMMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-23-17-11-4-5-12-18(17)24-13-7-6-10-16-14-8-2-3-9-15(14)21-19(20)22-16/h2-5,8-9,11-12H,6-7,10,13H2,1H3,(H2,20,21,22).
What are the key properties of 4-[4-(2-methoxyphenoxy)butyl]quinazolin-2-amine?
4-[4-(2-methoxyphenoxy)butyl]quinazolin-2-amine has a molecular weight of 323.40 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenoxy)butyl]quinazolin-2-amine is sourced from PubChem (CID 154004944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).