6-fluoro-2-N-(2-methoxy-6-methyl-3-pyridinyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine

C23H22FN7O2 — CID 164514656

IUPAC6-fluoro-2-N-(2-methoxy-6-methyl-3-pyridinyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine
SMILESCOc1nc(C)ccc1Nc1ncc2c(N)c(F)c(-c3cnc4c(c3C)NCCO4)cc2n1
InChIInChI=1S/C23H22FN7O2/c1-11-4-5-16(21(29-11)32-3)30-23-28-10-15-17(31-23)8-13(18(24)19(15)25)14-9-27-22-20(12(14)2)26-6-7-33-22/h4-5,8-10,26H,6-7,25H2,1-3H3,(H,28,30,31)
InChIKeyNCHZDTXCIAVHDC-UHFFFAOYSA-N
MW447.47 g/mol
LogP3.98
Rot. Bonds4

About 6-fluoro-2-N-(2-methoxy-6-methyl-3-pyridinyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine

6-fluoro-2-N-(2-methoxy-6-methyl-3-pyridinyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine (PubChem CID 164514656) has the molecular formula C23H22FN7O2 and a molecular weight of 447.47 g/mol. Its IUPAC name is 6-fluoro-2-N-(2-methoxy-6-methyl-3-pyridinyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine.

Molecular Properties

Compound Name6-fluoro-2-N-(2-methoxy-6-methyl-3-pyridinyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine
PubChem CID164514656
Molecular FormulaC23H22FN7O2
Molecular Weight447.47 g/mol
Exact Mass447.18
IUPAC Name6-fluoro-2-N-(2-methoxy-6-methyl-3-pyridinyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine
SMILESCOc1nc(C)ccc1Nc1ncc2c(N)c(F)c(-c3cnc4c(c3C)NCCO4)cc2n1
InChIInChI=1S/C23H22FN7O2/c1-11-4-5-16(21(29-11)32-3)30-23-28-10-15-17(31-23)8-13(18(24)19(15)25)14-9-27-22-20(12(14)2)26-6-7-33-22/h4-5,8-10,26H,6-7,25H2,1-3H3,(H,28,30,31)
InChIKeyNCHZDTXCIAVHDC-UHFFFAOYSA-N
XLogP3.98
TPSA120.10 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-N-(2-methoxy-6-methyl-3-pyridinyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine?
The IUPAC name of 6-fluoro-2-N-(2-methoxy-6-methyl-3-pyridinyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine (CID 164514656) is 6-fluoro-2-N-(2-methoxy-6-methyl-3-pyridinyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine.
What is the SMILES notation for 6-fluoro-2-N-(2-methoxy-6-methyl-3-pyridinyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine?
The canonical SMILES for 6-fluoro-2-N-(2-methoxy-6-methyl-3-pyridinyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine is COc1nc(C)ccc1Nc1ncc2c(N)c(F)c(-c3cnc4c(c3C)NCCO4)cc2n1.
What is the InChIKey of 6-fluoro-2-N-(2-methoxy-6-methyl-3-pyridinyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine?
The InChIKey is NCHZDTXCIAVHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7O2/c1-11-4-5-16(21(29-11)32-3)30-23-28-10-15-17(31-23)8-13(18(24)19(15)25)14-9-27-22-20(12(14)2)26-6-7-33-22/h4-5,8-10,26H,6-7,25H2,1-3H3,(H,28,30,31).
What are the key properties of 6-fluoro-2-N-(2-methoxy-6-methyl-3-pyridinyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine?
6-fluoro-2-N-(2-methoxy-6-methyl-3-pyridinyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine has a molecular weight of 447.47 g/mol, XLogP of 3.98, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-N-(2-methoxy-6-methyl-3-pyridinyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine is sourced from PubChem (CID 164514656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).