[4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]-morpholin-4-ylmethanone

C24H19ClFN5O2 — CID 71180226

IUPAC[4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc2nc(-c3cccnc3)nc(Nc3ccc(F)c(Cl)c3)c2c1)N1CCOCC1
InChIInChI=1S/C24H19ClFN5O2/c25-19-13-17(4-5-20(19)26)28-23-18-12-15(24(32)31-8-10-33-11-9-31)3-6-21(18)29-22(30-23)16-2-1-7-27-14-16/h1-7,12-14H,8-11H2,(H,28,29,30)
InChIKeyNDXWPYLJEJBAEU-UHFFFAOYSA-N
MW463.90 g/mol
LogP4.70
Rot. Bonds4

About [4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]-morpholin-4-ylmethanone

[4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]-morpholin-4-ylmethanone (PubChem CID 71180226) has the molecular formula C24H19ClFN5O2 and a molecular weight of 463.90 g/mol. Its IUPAC name is [4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]-morpholin-4-ylmethanone
PubChem CID71180226
Molecular FormulaC24H19ClFN5O2
Molecular Weight463.90 g/mol
Exact Mass463.12
IUPAC Name[4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc2nc(-c3cccnc3)nc(Nc3ccc(F)c(Cl)c3)c2c1)N1CCOCC1
InChIInChI=1S/C24H19ClFN5O2/c25-19-13-17(4-5-20(19)26)28-23-18-12-15(24(32)31-8-10-33-11-9-31)3-6-21(18)29-22(30-23)16-2-1-7-27-14-16/h1-7,12-14H,8-11H2,(H,28,29,30)
InChIKeyNDXWPYLJEJBAEU-UHFFFAOYSA-N
XLogP4.70
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.90
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]-morpholin-4-ylmethanone (CID 71180226) is [4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]-morpholin-4-ylmethanone is O=C(c1ccc2nc(-c3cccnc3)nc(Nc3ccc(F)c(Cl)c3)c2c1)N1CCOCC1.
What is the InChIKey of [4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]-morpholin-4-ylmethanone?
The InChIKey is NDXWPYLJEJBAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN5O2/c25-19-13-17(4-5-20(19)26)28-23-18-12-15(24(32)31-8-10-33-11-9-31)3-6-21(18)29-22(30-23)16-2-1-7-27-14-16/h1-7,12-14H,8-11H2,(H,28,29,30).
What are the key properties of [4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]-morpholin-4-ylmethanone?
[4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]-morpholin-4-ylmethanone has a molecular weight of 463.90 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 71180226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).