N-(3-chloro-4-fluorophenyl)-7-methyl-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine

C22H24ClFN4O2 — CID 20800276

IUPACN-(3-chloro-4-fluorophenyl)-7-methyl-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
SMILESCc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
InChIInChI=1S/C22H24ClFN4O2/c1-15-11-20-17(13-21(15)30-8-2-5-28-6-9-29-10-7-28)22(26-14-25-20)27-16-3-4-19(24)18(23)12-16/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
InChIKeyQOYJIDWUXZZLNY-UHFFFAOYSA-N
MW430.91 g/mol
LogP4.58
Rot. Bonds7

About N-(3-chloro-4-fluorophenyl)-7-methyl-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine

N-(3-chloro-4-fluorophenyl)-7-methyl-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine (PubChem CID 20800276) has the molecular formula C22H24ClFN4O2 and a molecular weight of 430.91 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-7-methyl-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-7-methyl-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
PubChem CID20800276
Molecular FormulaC22H24ClFN4O2
Molecular Weight430.91 g/mol
Exact Mass430.16
IUPAC NameN-(3-chloro-4-fluorophenyl)-7-methyl-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
SMILESCc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
InChIInChI=1S/C22H24ClFN4O2/c1-15-11-20-17(13-21(15)30-8-2-5-28-6-9-29-10-7-28)22(26-14-25-20)27-16-3-4-19(24)18(23)12-16/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
InChIKeyQOYJIDWUXZZLNY-UHFFFAOYSA-N
XLogP4.58
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.91
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-(3-chloro-4-fluorophenyl)-7-methyl-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-7-methyl-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine (CID 20800276) is N-(3-chloro-4-fluorophenyl)-7-methyl-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-7-methyl-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-7-methyl-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine is Cc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-7-methyl-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
The InChIKey is QOYJIDWUXZZLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN4O2/c1-15-11-20-17(13-21(15)30-8-2-5-28-6-9-29-10-7-28)22(26-14-25-20)27-16-3-4-19(24)18(23)12-16/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27).
What are the key properties of N-(3-chloro-4-fluorophenyl)-7-methyl-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
N-(3-chloro-4-fluorophenyl)-7-methyl-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine has a molecular weight of 430.91 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-7-methyl-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine is sourced from PubChem (CID 20800276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).