[4-[[8-(6-methyl-3-pyridinyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone

C25H23N5O2 — CID 54585213

IUPAC[4-[[8-(6-methyl-3-pyridinyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
SMILESCc1ccc(-c2cccc3cnc(Nc4ccc(C(=O)N5CCOCC5)cc4)nc23)cn1
InChIInChI=1S/C25H23N5O2/c1-17-5-6-19(15-26-17)22-4-2-3-20-16-27-25(29-23(20)22)28-21-9-7-18(8-10-21)24(31)30-11-13-32-14-12-30/h2-10,15-16H,11-14H2,1H3,(H,27,28,29)
InChIKeyZDRGZZRLUUCRMU-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.22
Rot. Bonds4

About [4-[[8-(6-methyl-3-pyridinyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone

[4-[[8-(6-methyl-3-pyridinyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone (PubChem CID 54585213) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is [4-[[8-(6-methyl-3-pyridinyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[[8-(6-methyl-3-pyridinyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
PubChem CID54585213
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name[4-[[8-(6-methyl-3-pyridinyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
SMILESCc1ccc(-c2cccc3cnc(Nc4ccc(C(=O)N5CCOCC5)cc4)nc23)cn1
InChIInChI=1S/C25H23N5O2/c1-17-5-6-19(15-26-17)22-4-2-3-20-16-27-25(29-23(20)22)28-21-9-7-18(8-10-21)24(31)30-11-13-32-14-12-30/h2-10,15-16H,11-14H2,1H3,(H,27,28,29)
InChIKeyZDRGZZRLUUCRMU-UHFFFAOYSA-N
XLogP4.22
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[[8-(6-methyl-3-pyridinyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[[8-(6-methyl-3-pyridinyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone (CID 54585213) is [4-[[8-(6-methyl-3-pyridinyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[[8-(6-methyl-3-pyridinyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[[8-(6-methyl-3-pyridinyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone is Cc1ccc(-c2cccc3cnc(Nc4ccc(C(=O)N5CCOCC5)cc4)nc23)cn1.
What is the InChIKey of [4-[[8-(6-methyl-3-pyridinyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
The InChIKey is ZDRGZZRLUUCRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-17-5-6-19(15-26-17)22-4-2-3-20-16-27-25(29-23(20)22)28-21-9-7-18(8-10-21)24(31)30-11-13-32-14-12-30/h2-10,15-16H,11-14H2,1H3,(H,27,28,29).
What are the key properties of [4-[[8-(6-methyl-3-pyridinyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
[4-[[8-(6-methyl-3-pyridinyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone has a molecular weight of 425.49 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[8-(6-methyl-3-pyridinyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 54585213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).