N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-(2-methylimidazol-1-yl)ethoxy]quinazolin-4-amine

C21H19ClFN5O2 — CID 15886031

IUPACN-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-(2-methylimidazol-1-yl)ethoxy]quinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCn1ccnc1C
InChIInChI=1S/C21H19ClFN5O2/c1-13-24-5-6-28(13)7-8-30-20-11-18-15(10-19(20)29-2)21(26-12-25-18)27-17-4-3-14(22)9-16(17)23/h3-6,9-12H,7-8H2,1-2H3,(H,25,26,27)
InChIKeyLIHCKUSRFREPFV-UHFFFAOYSA-N
MW427.87 g/mol
LogP4.76
Rot. Bonds7

About N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-(2-methylimidazol-1-yl)ethoxy]quinazolin-4-amine

N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-(2-methylimidazol-1-yl)ethoxy]quinazolin-4-amine (PubChem CID 15886031) has the molecular formula C21H19ClFN5O2 and a molecular weight of 427.87 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-(2-methylimidazol-1-yl)ethoxy]quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-(2-methylimidazol-1-yl)ethoxy]quinazolin-4-amine
PubChem CID15886031
Molecular FormulaC21H19ClFN5O2
Molecular Weight427.87 g/mol
Exact Mass427.12
IUPAC NameN-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-(2-methylimidazol-1-yl)ethoxy]quinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCn1ccnc1C
InChIInChI=1S/C21H19ClFN5O2/c1-13-24-5-6-28(13)7-8-30-20-11-18-15(10-19(20)29-2)21(26-12-25-18)27-17-4-3-14(22)9-16(17)23/h3-6,9-12H,7-8H2,1-2H3,(H,25,26,27)
InChIKeyLIHCKUSRFREPFV-UHFFFAOYSA-N
XLogP4.76
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.87
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-(2-methylimidazol-1-yl)ethoxy]quinazolin-4-amine?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-(2-methylimidazol-1-yl)ethoxy]quinazolin-4-amine (CID 15886031) is N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-(2-methylimidazol-1-yl)ethoxy]quinazolin-4-amine.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-(2-methylimidazol-1-yl)ethoxy]quinazolin-4-amine?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-(2-methylimidazol-1-yl)ethoxy]quinazolin-4-amine is COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCn1ccnc1C.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-(2-methylimidazol-1-yl)ethoxy]quinazolin-4-amine?
The InChIKey is LIHCKUSRFREPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN5O2/c1-13-24-5-6-28(13)7-8-30-20-11-18-15(10-19(20)29-2)21(26-12-25-18)27-17-4-3-14(22)9-16(17)23/h3-6,9-12H,7-8H2,1-2H3,(H,25,26,27).
What are the key properties of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-(2-methylimidazol-1-yl)ethoxy]quinazolin-4-amine?
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-(2-methylimidazol-1-yl)ethoxy]quinazolin-4-amine has a molecular weight of 427.87 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-(2-methylimidazol-1-yl)ethoxy]quinazolin-4-amine is sourced from PubChem (CID 15886031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).