4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazoline-2-carboxamide

C17H14ClFN4O2 — CID 172995354

IUPAC4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazoline-2-carboxamide
SMILESCCOc1ccc2c(Nc3ccc(F)c(Cl)c3)nc(C(N)=O)nc2c1
InChIInChI=1S/C17H14ClFN4O2/c1-2-25-10-4-5-11-14(8-10)22-17(15(20)24)23-16(11)21-9-3-6-13(19)12(18)7-9/h3-8H,2H2,1H3,(H2,20,24)(H,21,22,23)
InChIKeyYJZUALNQBYYLLH-UHFFFAOYSA-N
MW360.78 g/mol
LogP3.66
Rot. Bonds5

About 4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazoline-2-carboxamide

4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazoline-2-carboxamide (PubChem CID 172995354) has the molecular formula C17H14ClFN4O2 and a molecular weight of 360.78 g/mol. Its IUPAC name is 4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazoline-2-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazoline-2-carboxamide
PubChem CID172995354
Molecular FormulaC17H14ClFN4O2
Molecular Weight360.78 g/mol
Exact Mass360.08
IUPAC Name4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazoline-2-carboxamide
SMILESCCOc1ccc2c(Nc3ccc(F)c(Cl)c3)nc(C(N)=O)nc2c1
InChIInChI=1S/C17H14ClFN4O2/c1-2-25-10-4-5-11-14(8-10)22-17(15(20)24)23-16(11)21-9-3-6-13(19)12(18)7-9/h3-8H,2H2,1H3,(H2,20,24)(H,21,22,23)
InChIKeyYJZUALNQBYYLLH-UHFFFAOYSA-N
XLogP3.66
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.78
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-chloro-4-fluoroanilino)-7-(fluoromethoxy)quinazoline-2-carboxamide
CID 172995353
4-(3-chloro-4-fluoroanilino)-7-propan-2-yloxyquinazoline-2-carboxamide
CID 172995306
7-chloro-4-(3-chloro-4-fluoroanilino)quinazoline-2-carboxamide
CID 173085560
4-(4,5-dichloro-2-fluoroanilino)-7-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]quinazoline-2-carboxamide
CID 173158933
4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-fluoroquinazoline-2-carboxamide
CID 90980287
ethyl 2-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]oxyacetate
CID 66755921
ethyl 5-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]oxypentanoate
CID 66755406
ethyl 3-(3-chloro-4-fluoroanilino)quinoxaline-2-carboxylate
CID 50764986
ethyl 6-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]oxyhexanoate
CID 66755682
4-N-(3-chloro-4-fluorophenyl)-6-N-(4-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 22533544
ethyl 2-(3-chloro-4-fluoroanilino)pyridine-3-carboxylate
CID 28938472
N-(3-chloro-4-fluorophenyl)-2-(4-ethoxyanilino)acetamide
CID 54811423

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazoline-2-carboxamide?
The IUPAC name of 4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazoline-2-carboxamide (CID 172995354) is 4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazoline-2-carboxamide.
What is the SMILES notation for 4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazoline-2-carboxamide?
The canonical SMILES for 4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazoline-2-carboxamide is CCOc1ccc2c(Nc3ccc(F)c(Cl)c3)nc(C(N)=O)nc2c1.
What is the InChIKey of 4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazoline-2-carboxamide?
The InChIKey is YJZUALNQBYYLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4O2/c1-2-25-10-4-5-11-14(8-10)22-17(15(20)24)23-16(11)21-9-3-6-13(19)12(18)7-9/h3-8H,2H2,1H3,(H2,20,24)(H,21,22,23).
What are the key properties of 4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazoline-2-carboxamide?
4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazoline-2-carboxamide has a molecular weight of 360.78 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazoline-2-carboxamide is sourced from PubChem (CID 172995354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).