[2-fluoro-5-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenyl]-morpholin-4-ylmethanone

C25H22FN5O2 — CID 71179894

IUPAC[2-fluoro-5-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenyl]-morpholin-4-ylmethanone
SMILESCNc1nc(-c2cccnc2)nc2ccc(-c3ccc(F)c(C(=O)N4CCOCC4)c3)cc12
InChIInChI=1S/C25H22FN5O2/c1-27-24-20-14-17(5-7-22(20)29-23(30-24)18-3-2-8-28-15-18)16-4-6-21(26)19(13-16)25(32)31-9-11-33-12-10-31/h2-8,13-15H,9-12H2,1H3,(H,27,29,30)
InChIKeyAURRYKQMPMIIHL-UHFFFAOYSA-N
MW443.48 g/mol
LogP4.01
Rot. Bonds4

About [2-fluoro-5-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenyl]-morpholin-4-ylmethanone

[2-fluoro-5-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 71179894) has the molecular formula C25H22FN5O2 and a molecular weight of 443.48 g/mol. Its IUPAC name is [2-fluoro-5-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-fluoro-5-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID71179894
Molecular FormulaC25H22FN5O2
Molecular Weight443.48 g/mol
Exact Mass443.18
IUPAC Name[2-fluoro-5-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenyl]-morpholin-4-ylmethanone
SMILESCNc1nc(-c2cccnc2)nc2ccc(-c3ccc(F)c(C(=O)N4CCOCC4)c3)cc12
InChIInChI=1S/C25H22FN5O2/c1-27-24-20-14-17(5-7-22(20)29-23(30-24)18-3-2-8-28-15-18)16-4-6-21(26)19(13-16)25(32)31-9-11-33-12-10-31/h2-8,13-15H,9-12H2,1H3,(H,27,29,30)
InChIKeyAURRYKQMPMIIHL-UHFFFAOYSA-N
XLogP4.01
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [2-fluoro-5-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenyl]-morpholin-4-ylmethanone (CID 71179894) is [2-fluoro-5-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-fluoro-5-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-fluoro-5-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenyl]-morpholin-4-ylmethanone is CNc1nc(-c2cccnc2)nc2ccc(-c3ccc(F)c(C(=O)N4CCOCC4)c3)cc12.
What is the InChIKey of [2-fluoro-5-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is AURRYKQMPMIIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O2/c1-27-24-20-14-17(5-7-22(20)29-23(30-24)18-3-2-8-28-15-18)16-4-6-21(26)19(13-16)25(32)31-9-11-33-12-10-31/h2-8,13-15H,9-12H2,1H3,(H,27,29,30).
What are the key properties of [2-fluoro-5-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenyl]-morpholin-4-ylmethanone?
[2-fluoro-5-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 443.48 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 71179894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).