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

C20H17ClFN5O2 — CID 5329025

IUPACN-(4-chloro-2-fluorophenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCn1ccnc1
InChIInChI=1S/C20H17ClFN5O2/c1-28-18-9-14-17(10-19(18)29-7-6-27-5-4-23-12-27)24-11-25-20(14)26-16-3-2-13(21)8-15(16)22/h2-5,8-12H,6-7H2,1H3,(H,24,25,26)
InChIKeyLBIOYXLVKZXBHX-UHFFFAOYSA-N
MW413.84 g/mol
LogP4.45
Rot. Bonds7

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

N-(4-chloro-2-fluorophenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine (PubChem CID 5329025) has the molecular formula C20H17ClFN5O2 and a molecular weight of 413.84 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine
PubChem CID5329025
Molecular FormulaC20H17ClFN5O2
Molecular Weight413.84 g/mol
Exact Mass413.11
IUPAC NameN-(4-chloro-2-fluorophenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCn1ccnc1
InChIInChI=1S/C20H17ClFN5O2/c1-28-18-9-14-17(10-19(18)29-7-6-27-5-4-23-12-27)24-11-25-20(14)26-16-3-2-13(21)8-15(16)22/h2-5,8-12H,6-7H2,1H3,(H,24,25,26)
InChIKeyLBIOYXLVKZXBHX-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

Analyze N-(4-chloro-2-fluorophenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine with MolForge

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Related Compounds

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CID 10458325
N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine
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Zd-4190
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N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine hydrochloride
CID 3035187
M-475271
CID 5330175
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CID 78209992
4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-ol
CID 10471217
N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 5329009
4-({3-chloro-4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]phenyl}amino)-6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinoline-3-carbonitrile
CID 10303277

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine (CID 5329025) is N-(4-chloro-2-fluorophenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine is COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCn1ccnc1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine?
The InChIKey is LBIOYXLVKZXBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN5O2/c1-28-18-9-14-17(10-19(18)29-7-6-27-5-4-23-12-27)24-11-25-20(14)26-16-3-2-13(21)8-15(16)22/h2-5,8-12H,6-7H2,1H3,(H,24,25,26).
What are the key properties of N-(4-chloro-2-fluorophenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine?
N-(4-chloro-2-fluorophenyl)-7-(2-imidazol-1-ylethoxy)-6-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-(4-chloro-2-fluorophenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine is sourced from PubChem (CID 5329025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).