4-(3-chloro-4-fluoroanilino)-7-(fluoromethoxy)quinazoline-2-carboxamide

C16H11ClF2N4O2 — CID 172995353

IUPAC4-(3-chloro-4-fluoroanilino)-7-(fluoromethoxy)quinazoline-2-carboxamide
SMILESNC(=O)c1nc(Nc2ccc(F)c(Cl)c2)c2ccc(OCF)cc2n1
InChIInChI=1S/C16H11ClF2N4O2/c17-11-5-8(1-4-12(11)19)21-15-10-3-2-9(25-7-18)6-13(10)22-16(23-15)14(20)24/h1-6H,7H2,(H2,20,24)(H,21,22,23)
InChIKeyAITIDIWBDKGGJK-UHFFFAOYSA-N
MW364.74 g/mol
LogP3.57
Rot. Bonds5

About 4-(3-chloro-4-fluoroanilino)-7-(fluoromethoxy)quinazoline-2-carboxamide

4-(3-chloro-4-fluoroanilino)-7-(fluoromethoxy)quinazoline-2-carboxamide (PubChem CID 172995353) has the molecular formula C16H11ClF2N4O2 and a molecular weight of 364.74 g/mol. Its IUPAC name is 4-(3-chloro-4-fluoroanilino)-7-(fluoromethoxy)quinazoline-2-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-fluoroanilino)-7-(fluoromethoxy)quinazoline-2-carboxamide
PubChem CID172995353
Molecular FormulaC16H11ClF2N4O2
Molecular Weight364.74 g/mol
Exact Mass364.05
IUPAC Name4-(3-chloro-4-fluoroanilino)-7-(fluoromethoxy)quinazoline-2-carboxamide
SMILESNC(=O)c1nc(Nc2ccc(F)c(Cl)c2)c2ccc(OCF)cc2n1
InChIInChI=1S/C16H11ClF2N4O2/c17-11-5-8(1-4-12(11)19)21-15-10-3-2-9(25-7-18)6-13(10)22-16(23-15)14(20)24/h1-6H,7H2,(H2,20,24)(H,21,22,23)
InChIKeyAITIDIWBDKGGJK-UHFFFAOYSA-N
XLogP3.57
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.74
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazoline-2-carboxamide
CID 172995354
7-chloro-4-(3-chloro-4-fluoroanilino)quinazoline-2-carboxamide
CID 173085560
4-(3-chloro-4-fluoroanilino)-7-propan-2-yloxyquinazoline-2-carboxamide
CID 172995306
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
5-amino-2-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide
CID 61359759
4-[3-chloro-4-(furan-3-ylmethoxy)anilino]quinazoline-2-carboxamide
CID 173306474
[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]urea
CID 127048977
ethyl 5-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]oxypentanoate
CID 66755406
7-methoxy-4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazoline-2-carboxamide
CID 173150227
ethyl 6-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]oxyhexanoate
CID 66755682

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluoroanilino)-7-(fluoromethoxy)quinazoline-2-carboxamide?
The IUPAC name of 4-(3-chloro-4-fluoroanilino)-7-(fluoromethoxy)quinazoline-2-carboxamide (CID 172995353) is 4-(3-chloro-4-fluoroanilino)-7-(fluoromethoxy)quinazoline-2-carboxamide.
What is the SMILES notation for 4-(3-chloro-4-fluoroanilino)-7-(fluoromethoxy)quinazoline-2-carboxamide?
The canonical SMILES for 4-(3-chloro-4-fluoroanilino)-7-(fluoromethoxy)quinazoline-2-carboxamide is NC(=O)c1nc(Nc2ccc(F)c(Cl)c2)c2ccc(OCF)cc2n1.
What is the InChIKey of 4-(3-chloro-4-fluoroanilino)-7-(fluoromethoxy)quinazoline-2-carboxamide?
The InChIKey is AITIDIWBDKGGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2N4O2/c17-11-5-8(1-4-12(11)19)21-15-10-3-2-9(25-7-18)6-13(10)22-16(23-15)14(20)24/h1-6H,7H2,(H2,20,24)(H,21,22,23).
What are the key properties of 4-(3-chloro-4-fluoroanilino)-7-(fluoromethoxy)quinazoline-2-carboxamide?
4-(3-chloro-4-fluoroanilino)-7-(fluoromethoxy)quinazoline-2-carboxamide has a molecular weight of 364.74 g/mol, XLogP of 3.57, 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-(fluoromethoxy)quinazoline-2-carboxamide is sourced from PubChem (CID 172995353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).