N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-N-(furan-2-yl)formamide

C19H12ClFN4O2 — CID 174368501

IUPACN-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-N-(furan-2-yl)formamide
SMILESO=CN(c1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1)c1ccco1
InChIInChI=1S/C19H12ClFN4O2/c20-15-8-12(3-5-16(15)21)24-19-14-9-13(4-6-17(14)22-10-23-19)25(11-26)18-2-1-7-27-18/h1-11H,(H,22,23,24)
InChIKeySZQQHDLINOSRCE-UHFFFAOYSA-N
MW382.78 g/mol
LogP5.05
Rot. Bonds5

About N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-N-(furan-2-yl)formamide

N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-N-(furan-2-yl)formamide (PubChem CID 174368501) has the molecular formula C19H12ClFN4O2 and a molecular weight of 382.78 g/mol. Its IUPAC name is N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-N-(furan-2-yl)formamide.

Molecular Properties

Compound NameN-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-N-(furan-2-yl)formamide
PubChem CID174368501
Molecular FormulaC19H12ClFN4O2
Molecular Weight382.78 g/mol
Exact Mass382.06
IUPAC NameN-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-N-(furan-2-yl)formamide
SMILESO=CN(c1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1)c1ccco1
InChIInChI=1S/C19H12ClFN4O2/c20-15-8-12(3-5-16(15)21)24-19-14-9-13(4-6-17(14)22-10-23-19)25(11-26)18-2-1-7-27-18/h1-11H,(H,22,23,24)
InChIKeySZQQHDLINOSRCE-UHFFFAOYSA-N
XLogP5.05
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.78
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-N-(furan-2-yl)formamide?
The IUPAC name of N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-N-(furan-2-yl)formamide (CID 174368501) is N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-N-(furan-2-yl)formamide.
What is the SMILES notation for N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-N-(furan-2-yl)formamide?
The canonical SMILES for N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-N-(furan-2-yl)formamide is O=CN(c1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1)c1ccco1.
What is the InChIKey of N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-N-(furan-2-yl)formamide?
The InChIKey is SZQQHDLINOSRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN4O2/c20-15-8-12(3-5-16(15)21)24-19-14-9-13(4-6-17(14)22-10-23-19)25(11-26)18-2-1-7-27-18/h1-11H,(H,22,23,24).
What are the key properties of N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-N-(furan-2-yl)formamide?
N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-N-(furan-2-yl)formamide has a molecular weight of 382.78 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-N-(furan-2-yl)formamide is sourced from PubChem (CID 174368501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).