N-chloro-N-(4-fluorophenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine

C21H22ClFN4O2 — CID 174472331

IUPACN-chloro-N-(4-fluorophenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
SMILESFc1ccc(N(Cl)c2ncnc3ccc(OCCCN4CCOCC4)cc23)cc1
InChIInChI=1S/C21H22ClFN4O2/c22-27(17-4-2-16(23)3-5-17)21-19-14-18(6-7-20(19)24-15-25-21)29-11-1-8-26-9-12-28-13-10-26/h2-7,14-15H,1,8-13H2
InChIKeyUDWUGMPKSNNIFK-UHFFFAOYSA-N
MW416.88 g/mol
LogP4.16
Rot. Bonds7

About N-chloro-N-(4-fluorophenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine

N-chloro-N-(4-fluorophenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine (PubChem CID 174472331) has the molecular formula C21H22ClFN4O2 and a molecular weight of 416.88 g/mol. Its IUPAC name is N-chloro-N-(4-fluorophenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine.

Molecular Properties

Compound NameN-chloro-N-(4-fluorophenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
PubChem CID174472331
Molecular FormulaC21H22ClFN4O2
Molecular Weight416.88 g/mol
Exact Mass416.14
IUPAC NameN-chloro-N-(4-fluorophenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
SMILESFc1ccc(N(Cl)c2ncnc3ccc(OCCCN4CCOCC4)cc23)cc1
InChIInChI=1S/C21H22ClFN4O2/c22-27(17-4-2-16(23)3-5-17)21-19-14-18(6-7-20(19)24-15-25-21)29-11-1-8-26-9-12-28-13-10-26/h2-7,14-15H,1,8-13H2
InChIKeyUDWUGMPKSNNIFK-UHFFFAOYSA-N
XLogP4.16
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.88
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 24737854
4-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]morpholine
CID 30983916
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-propylquinazolin-4-amine
CID 171345695
N-[6-amino-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 10457581
4-[3-(3-iodophenoxy)propyl]morpholine
CID 47520354
4-(3-morpholin-4-ylpropoxy)benzonitrile
CID 2993836
6-(5-morpholin-4-ylpentoxy)chromen-4-one
CID 162664969
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
6-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methylquinazolin-4-amine
CID 78901493
4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]morpholine
CID 169006400
N-(4-fluoro-3-methylphenyl)-N-[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]prop-2-enamide
CID 155520384
4-[3-[4-(1-hydroxyindol-3-yl)quinazolin-7-yl]oxypropyl]morpholine
CID 139836432

Frequently Asked Questions

What is the IUPAC name of N-chloro-N-(4-fluorophenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
The IUPAC name of N-chloro-N-(4-fluorophenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine (CID 174472331) is N-chloro-N-(4-fluorophenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine.
What is the SMILES notation for N-chloro-N-(4-fluorophenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
The canonical SMILES for N-chloro-N-(4-fluorophenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine is Fc1ccc(N(Cl)c2ncnc3ccc(OCCCN4CCOCC4)cc23)cc1.
What is the InChIKey of N-chloro-N-(4-fluorophenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
The InChIKey is UDWUGMPKSNNIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN4O2/c22-27(17-4-2-16(23)3-5-17)21-19-14-18(6-7-20(19)24-15-25-21)29-11-1-8-26-9-12-28-13-10-26/h2-7,14-15H,1,8-13H2.
What are the key properties of N-chloro-N-(4-fluorophenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
N-chloro-N-(4-fluorophenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine has a molecular weight of 416.88 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-(4-fluorophenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine is sourced from PubChem (CID 174472331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).