4-N-(4,5-dichloro-2-fluorophenyl)-7-(2-ethoxyethoxy)quinazoline-4,6-diamine

C18H17Cl2FN4O2 — CID 69320196

IUPAC4-N-(4,5-dichloro-2-fluorophenyl)-7-(2-ethoxyethoxy)quinazoline-4,6-diamine
SMILESCCOCCOc1cc2ncnc(Nc3cc(Cl)c(Cl)cc3F)c2cc1N
InChIInChI=1S/C18H17Cl2FN4O2/c1-2-26-3-4-27-17-8-15-10(5-14(17)22)18(24-9-23-15)25-16-7-12(20)11(19)6-13(16)21/h5-9H,2-4,22H2,1H3,(H,23,24,25)
InChIKeyFXQLEQVGDHSBLQ-UHFFFAOYSA-N
MW411.26 g/mol
LogP4.82
Rot. Bonds7

About 4-N-(4,5-dichloro-2-fluorophenyl)-7-(2-ethoxyethoxy)quinazoline-4,6-diamine

4-N-(4,5-dichloro-2-fluorophenyl)-7-(2-ethoxyethoxy)quinazoline-4,6-diamine (PubChem CID 69320196) has the molecular formula C18H17Cl2FN4O2 and a molecular weight of 411.26 g/mol. Its IUPAC name is 4-N-(4,5-dichloro-2-fluorophenyl)-7-(2-ethoxyethoxy)quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(4,5-dichloro-2-fluorophenyl)-7-(2-ethoxyethoxy)quinazoline-4,6-diamine
PubChem CID69320196
Molecular FormulaC18H17Cl2FN4O2
Molecular Weight411.26 g/mol
Exact Mass410.07
IUPAC Name4-N-(4,5-dichloro-2-fluorophenyl)-7-(2-ethoxyethoxy)quinazoline-4,6-diamine
SMILESCCOCCOc1cc2ncnc(Nc3cc(Cl)c(Cl)cc3F)c2cc1N
InChIInChI=1S/C18H17Cl2FN4O2/c1-2-26-3-4-27-17-8-15-10(5-14(17)22)18(24-9-23-15)25-16-7-12(20)11(19)6-13(16)21/h5-9H,2-4,22H2,1H3,(H,23,24,25)
InChIKeyFXQLEQVGDHSBLQ-UHFFFAOYSA-N
XLogP4.82
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.26
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4,5-dichloro-2-fluoroanilino)-7-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]quinazolin-6-yl]prop-2-enamide
CID 69319880
N-[4-(4,5-dichloro-2-fluoroanilino)-7-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]quinazolin-6-yl]-2-methoxyacetamide
CID 69314407
4-N-(3-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)quinazoline-4,6-diamine
CID 142692093
4-N-(4-bromo-2-fluorophenyl)-7-(2-methoxyethoxy)quinazoline-4,6-diamine
CID 90746816
2-chloro-N-[4-(4,5-dichloro-2-fluoroanilino)-7-[2-(2-fluoroethoxy)ethoxy]quinazolin-6-yl]acetamide
CID 24960475
2-[2-[4-(4,5-dichloro-2-fluoroanilino)-6-nitroquinazolin-7-yl]oxyethoxy]ethyl methanesulfonate
CID 86618842
7-(2-aminoethoxy)-4-N-(4-bromo-2-fluorophenyl)quinazoline-4,6-diamine
CID 69100345
4-N-(3-chloro-4-fluorophenyl)-7-(2-fluoroethoxy)quinazoline-4,6-diamine
CID 87059147
4-N-(3-chloro-4-fluorophenyl)-7-(3-methoxypropoxy)quinazoline-4,6-diamine
CID 118900258
N-[2-[4-(4,5-dichloro-2-fluoroanilino)-6-(prop-2-enoylamino)quinazolin-7-yl]oxyethyl]propanamide
CID 69100536
4-N-(3,4-dichloro-2-fluorophenyl)-7-methoxyquinazoline-4,6-diamine;hydrochloride
CID 174765218
2-[4-(4,5-dichloro-2-fluoroanilino)-6-nitroquinazolin-7-yl]oxyethylcarbamic acid
CID 69100660

Frequently Asked Questions

What is the IUPAC name of 4-N-(4,5-dichloro-2-fluorophenyl)-7-(2-ethoxyethoxy)quinazoline-4,6-diamine?
The IUPAC name of 4-N-(4,5-dichloro-2-fluorophenyl)-7-(2-ethoxyethoxy)quinazoline-4,6-diamine (CID 69320196) is 4-N-(4,5-dichloro-2-fluorophenyl)-7-(2-ethoxyethoxy)quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(4,5-dichloro-2-fluorophenyl)-7-(2-ethoxyethoxy)quinazoline-4,6-diamine?
The canonical SMILES for 4-N-(4,5-dichloro-2-fluorophenyl)-7-(2-ethoxyethoxy)quinazoline-4,6-diamine is CCOCCOc1cc2ncnc(Nc3cc(Cl)c(Cl)cc3F)c2cc1N.
What is the InChIKey of 4-N-(4,5-dichloro-2-fluorophenyl)-7-(2-ethoxyethoxy)quinazoline-4,6-diamine?
The InChIKey is FXQLEQVGDHSBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2FN4O2/c1-2-26-3-4-27-17-8-15-10(5-14(17)22)18(24-9-23-15)25-16-7-12(20)11(19)6-13(16)21/h5-9H,2-4,22H2,1H3,(H,23,24,25).
What are the key properties of 4-N-(4,5-dichloro-2-fluorophenyl)-7-(2-ethoxyethoxy)quinazoline-4,6-diamine?
4-N-(4,5-dichloro-2-fluorophenyl)-7-(2-ethoxyethoxy)quinazoline-4,6-diamine has a molecular weight of 411.26 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4,5-dichloro-2-fluorophenyl)-7-(2-ethoxyethoxy)quinazoline-4,6-diamine is sourced from PubChem (CID 69320196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).