2-chloro-4-fluoro-N-(4-pyrrolidin-1-ylquinazolin-6-yl)benzamide

C19H16ClFN4O — CID 53140559

IUPAC2-chloro-4-fluoro-N-(4-pyrrolidin-1-ylquinazolin-6-yl)benzamide
SMILESO=C(Nc1ccc2ncnc(N3CCCC3)c2c1)c1ccc(F)cc1Cl
InChIInChI=1S/C19H16ClFN4O/c20-16-9-12(21)3-5-14(16)19(26)24-13-4-6-17-15(10-13)18(23-11-22-17)25-7-1-2-8-25/h3-6,9-11H,1-2,7-8H2,(H,24,26)
InChIKeyNKNSATOLQRMCFS-UHFFFAOYSA-N
MW370.82 g/mol
LogP4.27
Rot. Bonds3

About 2-chloro-4-fluoro-N-(4-pyrrolidin-1-ylquinazolin-6-yl)benzamide

2-chloro-4-fluoro-N-(4-pyrrolidin-1-ylquinazolin-6-yl)benzamide (PubChem CID 53140559) has the molecular formula C19H16ClFN4O and a molecular weight of 370.82 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(4-pyrrolidin-1-ylquinazolin-6-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(4-pyrrolidin-1-ylquinazolin-6-yl)benzamide
PubChem CID53140559
Molecular FormulaC19H16ClFN4O
Molecular Weight370.82 g/mol
Exact Mass370.10
IUPAC Name2-chloro-4-fluoro-N-(4-pyrrolidin-1-ylquinazolin-6-yl)benzamide
SMILESO=C(Nc1ccc2ncnc(N3CCCC3)c2c1)c1ccc(F)cc1Cl
InChIInChI=1S/C19H16ClFN4O/c20-16-9-12(21)3-5-14(16)19(26)24-13-4-6-17-15(10-13)18(23-11-22-17)25-7-1-2-8-25/h3-6,9-11H,1-2,7-8H2,(H,24,26)
InChIKeyNKNSATOLQRMCFS-UHFFFAOYSA-N
XLogP4.27
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(4-pyrrolidin-1-ylquinazolin-6-yl)benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-(4-pyrrolidin-1-ylquinazolin-6-yl)benzamide (CID 53140559) is 2-chloro-4-fluoro-N-(4-pyrrolidin-1-ylquinazolin-6-yl)benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(4-pyrrolidin-1-ylquinazolin-6-yl)benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(4-pyrrolidin-1-ylquinazolin-6-yl)benzamide is O=C(Nc1ccc2ncnc(N3CCCC3)c2c1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-(4-pyrrolidin-1-ylquinazolin-6-yl)benzamide?
The InChIKey is NKNSATOLQRMCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O/c20-16-9-12(21)3-5-14(16)19(26)24-13-4-6-17-15(10-13)18(23-11-22-17)25-7-1-2-8-25/h3-6,9-11H,1-2,7-8H2,(H,24,26).
What are the key properties of 2-chloro-4-fluoro-N-(4-pyrrolidin-1-ylquinazolin-6-yl)benzamide?
2-chloro-4-fluoro-N-(4-pyrrolidin-1-ylquinazolin-6-yl)benzamide has a molecular weight of 370.82 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(4-pyrrolidin-1-ylquinazolin-6-yl)benzamide is sourced from PubChem (CID 53140559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).