N-(3-chloro-4-fluorophenyl)-6-(2-imidazol-1-ylethoxy)-7-methoxyquinazolin-4-amine

C20H17ClFN5O2 — CID 19077506

IUPACN-(3-chloro-4-fluorophenyl)-6-(2-imidazol-1-ylethoxy)-7-methoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCn1ccnc1
InChIInChI=1S/C20H17ClFN5O2/c1-28-18-10-17-14(9-19(18)29-7-6-27-5-4-23-12-27)20(25-11-24-17)26-13-2-3-16(22)15(21)8-13/h2-5,8-12H,6-7H2,1H3,(H,24,25,26)
InChIKeyXXBDUYQPZRPNMB-UHFFFAOYSA-N
MW413.84 g/mol
LogP4.45
Rot. Bonds7

About N-(3-chloro-4-fluorophenyl)-6-(2-imidazol-1-ylethoxy)-7-methoxyquinazolin-4-amine

N-(3-chloro-4-fluorophenyl)-6-(2-imidazol-1-ylethoxy)-7-methoxyquinazolin-4-amine (PubChem CID 19077506) has the molecular formula C20H17ClFN5O2 and a molecular weight of 413.84 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6-(2-imidazol-1-ylethoxy)-7-methoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6-(2-imidazol-1-ylethoxy)-7-methoxyquinazolin-4-amine
PubChem CID19077506
Molecular FormulaC20H17ClFN5O2
Molecular Weight413.84 g/mol
Exact Mass413.11
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-(2-imidazol-1-ylethoxy)-7-methoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCn1ccnc1
InChIInChI=1S/C20H17ClFN5O2/c1-28-18-10-17-14(9-19(18)29-7-6-27-5-4-23-12-27)20(25-11-24-17)26-13-2-3-16(22)15(21)8-13/h2-5,8-12H,6-7H2,1H3,(H,24,25,26)
InChIKeyXXBDUYQPZRPNMB-UHFFFAOYSA-N
XLogP4.45
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.84
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(2-imidazol-1-ylethoxy)-7-methoxyquinazolin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(2-imidazol-1-ylethoxy)-7-methoxyquinazolin-4-amine (CID 19077506) is N-(3-chloro-4-fluorophenyl)-6-(2-imidazol-1-ylethoxy)-7-methoxyquinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6-(2-imidazol-1-ylethoxy)-7-methoxyquinazolin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6-(2-imidazol-1-ylethoxy)-7-methoxyquinazolin-4-amine is COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCn1ccnc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6-(2-imidazol-1-ylethoxy)-7-methoxyquinazolin-4-amine?
The InChIKey is XXBDUYQPZRPNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN5O2/c1-28-18-10-17-14(9-19(18)29-7-6-27-5-4-23-12-27)20(25-11-24-17)26-13-2-3-16(22)15(21)8-13/h2-5,8-12H,6-7H2,1H3,(H,24,25,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-6-(2-imidazol-1-ylethoxy)-7-methoxyquinazolin-4-amine?
N-(3-chloro-4-fluorophenyl)-6-(2-imidazol-1-ylethoxy)-7-methoxyquinazolin-4-amine has a molecular weight of 413.84 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-6-(2-imidazol-1-ylethoxy)-7-methoxyquinazolin-4-amine is sourced from PubChem (CID 19077506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).