N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine

C18H17ClFN3O3 — CID 5329011

IUPACN-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine
SMILESCOCCOc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC
InChIInChI=1S/C18H17ClFN3O3/c1-24-5-6-26-17-9-15-12(8-16(17)25-2)18(22-10-21-15)23-14-4-3-11(19)7-13(14)20/h3-4,7-10H,5-6H2,1-2H3,(H,21,22,23)
InChIKeySWIHGAFGYUTAOY-UHFFFAOYSA-N
MW377.80 g/mol
LogP4.20
Rot. Bonds7

About N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine

N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine (PubChem CID 5329011) has the molecular formula C18H17ClFN3O3 and a molecular weight of 377.80 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine
PubChem CID5329011
Molecular FormulaC18H17ClFN3O3
Molecular Weight377.80 g/mol
Exact Mass377.09
IUPAC NameN-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine
SMILESCOCCOc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC
InChIInChI=1S/C18H17ClFN3O3/c1-24-5-6-26-17-9-15-12(8-16(17)25-2)18(22-10-21-15)23-14-4-3-11(19)7-13(14)20/h3-4,7-10H,5-6H2,1-2H3,(H,21,22,23)
InChIKeySWIHGAFGYUTAOY-UHFFFAOYSA-N
XLogP4.20
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.80
LogP ≤ 54.20
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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Related Compounds

CID 176870
CID 176870
CID 3081361
CID 3081361
CID 123631
CID 123631
CID 176871
CID 176871
CID 2051
CID 2051
CID 11488320
CID 11488320
CID 3038522
CID 3038522
CID 10458325
CID 10458325
CID 22024915
CID 22024915
CID 25127713
CID 25127713
CID 9549295
CID 9549295
CID 4705
CID 4705

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine (CID 5329011) is N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine is COCCOc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine?
The InChIKey is SWIHGAFGYUTAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O3/c1-24-5-6-26-17-9-15-12(8-16(17)25-2)18(22-10-21-15)23-14-4-3-11(19)7-13(14)20/h3-4,7-10H,5-6H2,1-2H3,(H,21,22,23).
What are the key properties of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine?
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine has a molecular weight of 377.80 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine is sourced from PubChem (CID 5329011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).