4-[5-(2-chlorophenoxy)pentyl]quinazolin-2-amine

C19H20ClN3O — CID 154004984

IUPAC4-[5-(2-chlorophenoxy)pentyl]quinazolin-2-amine
SMILESNc1nc(CCCCCOc2ccccc2Cl)c2ccccc2n1
InChIInChI=1S/C19H20ClN3O/c20-15-9-4-6-12-18(15)24-13-7-1-2-10-16-14-8-3-5-11-17(14)23-19(21)22-16/h3-6,8-9,11-12H,1-2,7,10,13H2,(H2,21,22,23)
InChIKeyJOHCKQPXWBBCBX-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.66
Rot. Bonds7

About 4-[5-(2-chlorophenoxy)pentyl]quinazolin-2-amine

4-[5-(2-chlorophenoxy)pentyl]quinazolin-2-amine (PubChem CID 154004984) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is 4-[5-(2-chlorophenoxy)pentyl]quinazolin-2-amine.

Molecular Properties

Compound Name4-[5-(2-chlorophenoxy)pentyl]quinazolin-2-amine
PubChem CID154004984
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name4-[5-(2-chlorophenoxy)pentyl]quinazolin-2-amine
SMILESNc1nc(CCCCCOc2ccccc2Cl)c2ccccc2n1
InChIInChI=1S/C19H20ClN3O/c20-15-9-4-6-12-18(15)24-13-7-1-2-10-16-14-8-3-5-11-17(14)23-19(21)22-16/h3-6,8-9,11-12H,1-2,7,10,13H2,(H2,21,22,23)
InChIKeyJOHCKQPXWBBCBX-UHFFFAOYSA-N
XLogP4.66
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.66
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

4-[4-(2-methoxyphenoxy)butyl]quinazolin-2-amine
CID 154004944
4-[3-(4-chlorophenoxy)propyl]quinazolin-2-amine
CID 154004906
4-[7-(4-methylphenoxy)heptyl]quinazolin-2-amine
CID 154005030
4-(3-propan-2-yloxypropyl)quinazolin-2-amine
CID 154004886
5-[3-(2-chlorophenoxy)propyl]-6-methylpyrimidine-2,4-diamine
CID 44531878
4-ethylquinazolin-2-amine
CID 10352174
4-[3-(2-ethylhexoxy)propyl]quinazolin-2-amine
CID 154004889
1-chloro-2-(4-methoxybutoxy)benzene
CID 59339544
4-(3-pyridin-4-ylpropoxy)quinazolin-2-amine
CID 80845389
2-(2-chlorophenoxy)ethyl 2-naphthalen-1-ylquinoline-4-carboxylate
CID 4551994
6-(5-phenoxypentyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride
CID 155532752
bis[2-(2-chlorophenoxy)ethyl] oxalate
CID 68775442

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-chlorophenoxy)pentyl]quinazolin-2-amine?
The IUPAC name of 4-[5-(2-chlorophenoxy)pentyl]quinazolin-2-amine (CID 154004984) is 4-[5-(2-chlorophenoxy)pentyl]quinazolin-2-amine.
What is the SMILES notation for 4-[5-(2-chlorophenoxy)pentyl]quinazolin-2-amine?
The canonical SMILES for 4-[5-(2-chlorophenoxy)pentyl]quinazolin-2-amine is Nc1nc(CCCCCOc2ccccc2Cl)c2ccccc2n1.
What is the InChIKey of 4-[5-(2-chlorophenoxy)pentyl]quinazolin-2-amine?
The InChIKey is JOHCKQPXWBBCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c20-15-9-4-6-12-18(15)24-13-7-1-2-10-16-14-8-3-5-11-17(14)23-19(21)22-16/h3-6,8-9,11-12H,1-2,7,10,13H2,(H2,21,22,23).
What are the key properties of 4-[5-(2-chlorophenoxy)pentyl]quinazolin-2-amine?
4-[5-(2-chlorophenoxy)pentyl]quinazolin-2-amine has a molecular weight of 341.84 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-chlorophenoxy)pentyl]quinazolin-2-amine is sourced from PubChem (CID 154004984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).