4-(3-methyl-2-pyridin-2-yl-1,8-naphthyridin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine

C26H25N5O2 — CID 67285250

IUPAC4-(3-methyl-2-pyridin-2-yl-1,8-naphthyridin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine
SMILESCc1c(-c2ccccn2)nc2ncccc2c1N1CCOc2ccc(N3CCOCC3)cc21
InChIInChI=1S/C26H25N5O2/c1-18-24(21-6-2-3-9-27-21)29-26-20(5-4-10-28-26)25(18)31-13-16-33-23-8-7-19(17-22(23)31)30-11-14-32-15-12-30/h2-10,17H,11-16H2,1H3
InChIKeyATKAKVKDWJCNFZ-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.37
Rot. Bonds3

About 4-(3-methyl-2-pyridin-2-yl-1,8-naphthyridin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine

4-(3-methyl-2-pyridin-2-yl-1,8-naphthyridin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine (PubChem CID 67285250) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 4-(3-methyl-2-pyridin-2-yl-1,8-naphthyridin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-(3-methyl-2-pyridin-2-yl-1,8-naphthyridin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine
PubChem CID67285250
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name4-(3-methyl-2-pyridin-2-yl-1,8-naphthyridin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine
SMILESCc1c(-c2ccccn2)nc2ncccc2c1N1CCOc2ccc(N3CCOCC3)cc21
InChIInChI=1S/C26H25N5O2/c1-18-24(21-6-2-3-9-27-21)29-26-20(5-4-10-28-26)25(18)31-13-16-33-23-8-7-19(17-22(23)31)30-11-14-32-15-12-30/h2-10,17H,11-16H2,1H3
InChIKeyATKAKVKDWJCNFZ-UHFFFAOYSA-N
XLogP4.37
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2-pyridin-2-yl-1,8-naphthyridin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-(3-methyl-2-pyridin-2-yl-1,8-naphthyridin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine (CID 67285250) is 4-(3-methyl-2-pyridin-2-yl-1,8-naphthyridin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-(3-methyl-2-pyridin-2-yl-1,8-naphthyridin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-(3-methyl-2-pyridin-2-yl-1,8-naphthyridin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine is Cc1c(-c2ccccn2)nc2ncccc2c1N1CCOc2ccc(N3CCOCC3)cc21.
What is the InChIKey of 4-(3-methyl-2-pyridin-2-yl-1,8-naphthyridin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is ATKAKVKDWJCNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-18-24(21-6-2-3-9-27-21)29-26-20(5-4-10-28-26)25(18)31-13-16-33-23-8-7-19(17-22(23)31)30-11-14-32-15-12-30/h2-10,17H,11-16H2,1H3.
What are the key properties of 4-(3-methyl-2-pyridin-2-yl-1,8-naphthyridin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine?
4-(3-methyl-2-pyridin-2-yl-1,8-naphthyridin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 439.52 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2-pyridin-2-yl-1,8-naphthyridin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 67285250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).