4-N-[2-(4-phenoxyphenyl)ethyl]quinazoline-4,6-diamine

C22H20N4O — CID 509554

IUPAC4-N-[2-(4-phenoxyphenyl)ethyl]quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(NCCc3ccc(Oc4ccccc4)cc3)c2c1
InChIInChI=1S/C22H20N4O/c23-17-8-11-21-20(14-17)22(26-15-25-21)24-13-12-16-6-9-19(10-7-16)27-18-4-2-1-3-5-18/h1-11,14-15H,12-13,23H2,(H,24,25,26)
InChIKeyIBAKVEUZKHOWNG-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.66
Rot. Bonds6

About 4-N-[2-(4-phenoxyphenyl)ethyl]quinazoline-4,6-diamine

4-N-[2-(4-phenoxyphenyl)ethyl]quinazoline-4,6-diamine (PubChem CID 509554) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-N-[2-(4-phenoxyphenyl)ethyl]quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(4-phenoxyphenyl)ethyl]quinazoline-4,6-diamine
PubChem CID509554
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name4-N-[2-(4-phenoxyphenyl)ethyl]quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(NCCc3ccc(Oc4ccccc4)cc3)c2c1
InChIInChI=1S/C22H20N4O/c23-17-8-11-21-20(14-17)22(26-15-25-21)24-13-12-16-6-9-19(10-7-16)27-18-4-2-1-3-5-18/h1-11,14-15H,12-13,23H2,(H,24,25,26)
InChIKeyIBAKVEUZKHOWNG-UHFFFAOYSA-N
XLogP4.66
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Zotiraciclib
CID 16739650
N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015
CP-31398
CID 9950868
Src Kinase Inhibitor I
CID 1474853
6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
2,4-Diamino-6-[N-(2',5'-Dimethoxybenzyl)-N-Methylamino]Quinazoline
CID 447021
N-(4-Phenoxyphenyl)-4-quinazolinamine
CID 712152
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
N-(3-methoxyphenyl)quinazolin-4-amine
CID 712193
N~4~-benzyl-N~2~-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 1330474
CID 2952997
CID 2952997
N-benzyl-7-methoxyquinazolin-4-amine
CID 5328032

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-phenoxyphenyl)ethyl]quinazoline-4,6-diamine?
The IUPAC name of 4-N-[2-(4-phenoxyphenyl)ethyl]quinazoline-4,6-diamine (CID 509554) is 4-N-[2-(4-phenoxyphenyl)ethyl]quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-[2-(4-phenoxyphenyl)ethyl]quinazoline-4,6-diamine?
The canonical SMILES for 4-N-[2-(4-phenoxyphenyl)ethyl]quinazoline-4,6-diamine is Nc1ccc2ncnc(NCCc3ccc(Oc4ccccc4)cc3)c2c1.
What is the InChIKey of 4-N-[2-(4-phenoxyphenyl)ethyl]quinazoline-4,6-diamine?
The InChIKey is IBAKVEUZKHOWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c23-17-8-11-21-20(14-17)22(26-15-25-21)24-13-12-16-6-9-19(10-7-16)27-18-4-2-1-3-5-18/h1-11,14-15H,12-13,23H2,(H,24,25,26).
What are the key properties of 4-N-[2-(4-phenoxyphenyl)ethyl]quinazoline-4,6-diamine?
4-N-[2-(4-phenoxyphenyl)ethyl]quinazoline-4,6-diamine has a molecular weight of 356.43 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-phenoxyphenyl)ethyl]quinazoline-4,6-diamine is sourced from PubChem (CID 509554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).