N-(3-fluoro-4-morpholin-4-ylphenyl)quinazolin-4-amine

C18H17FN4O — CID 138038403

IUPACN-(3-fluoro-4-morpholin-4-ylphenyl)quinazolin-4-amine
SMILESFc1cc(Nc2ncnc3ccccc23)ccc1N1CCOCC1
InChIInChI=1S/C18H17FN4O/c19-15-11-13(5-6-17(15)23-7-9-24-10-8-23)22-18-14-3-1-2-4-16(14)20-12-21-18/h1-6,11-12H,7-10H2,(H,20,21,22)
InChIKeyODJLLEZQCSPZKC-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.35
Rot. Bonds3

About N-(3-fluoro-4-morpholin-4-ylphenyl)quinazolin-4-amine

N-(3-fluoro-4-morpholin-4-ylphenyl)quinazolin-4-amine (PubChem CID 138038403) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is N-(3-fluoro-4-morpholin-4-ylphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-morpholin-4-ylphenyl)quinazolin-4-amine
PubChem CID138038403
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC NameN-(3-fluoro-4-morpholin-4-ylphenyl)quinazolin-4-amine
SMILESFc1cc(Nc2ncnc3ccccc23)ccc1N1CCOCC1
InChIInChI=1S/C18H17FN4O/c19-15-11-13(5-6-17(15)23-7-9-24-10-8-23)22-18-14-3-1-2-4-16(14)20-12-21-18/h1-6,11-12H,7-10H2,(H,20,21,22)
InChIKeyODJLLEZQCSPZKC-UHFFFAOYSA-N
XLogP3.35
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-morpholin-4-ylanilino)quinazolin-6-yl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 90920909
N-(3-chloro-4-fluorophenyl)quinazolin-4-amine
CID 725409
2-(4-hydroxypiperidin-1-yl)-5-(quinazolin-4-ylamino)benzonitrile
CID 133324873
N-naphthalen-2-ylquinazolin-4-amine
CID 110434772
ethane;6-methyl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 143267063
N-[4-(4-methylpiperidin-1-yl)phenyl]quinazolin-4-amine
CID 725428
N-ethyl-3-fluoro-4-morpholin-4-ylaniline
CID 123788462
4-(quinazolin-4-ylamino)phenol;hydrochloride
CID 2790603
N-(3-methylphenyl)quinazolin-4-amine
CID 659954
ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide
CID 145422161
6-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 69177666
5,6-diethyl-3-(3-fluoro-4-morpholin-4-ylanilino)pyridazine-4-carbonitrile
CID 133378832

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-morpholin-4-ylphenyl)quinazolin-4-amine?
The IUPAC name of N-(3-fluoro-4-morpholin-4-ylphenyl)quinazolin-4-amine (CID 138038403) is N-(3-fluoro-4-morpholin-4-ylphenyl)quinazolin-4-amine.
What is the SMILES notation for N-(3-fluoro-4-morpholin-4-ylphenyl)quinazolin-4-amine?
The canonical SMILES for N-(3-fluoro-4-morpholin-4-ylphenyl)quinazolin-4-amine is Fc1cc(Nc2ncnc3ccccc23)ccc1N1CCOCC1.
What is the InChIKey of N-(3-fluoro-4-morpholin-4-ylphenyl)quinazolin-4-amine?
The InChIKey is ODJLLEZQCSPZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c19-15-11-13(5-6-17(15)23-7-9-24-10-8-23)22-18-14-3-1-2-4-16(14)20-12-21-18/h1-6,11-12H,7-10H2,(H,20,21,22).
What are the key properties of N-(3-fluoro-4-morpholin-4-ylphenyl)quinazolin-4-amine?
N-(3-fluoro-4-morpholin-4-ylphenyl)quinazolin-4-amine has a molecular weight of 324.36 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-morpholin-4-ylphenyl)quinazolin-4-amine is sourced from PubChem (CID 138038403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).