(4-fluorophenyl)-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]diazene

C26H24FN5O3 — CID 177376240

IUPAC(4-fluorophenyl)-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]diazene
SMILESCOc1ncc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cc1/N=N/c1ccc(F)cc1
InChIInChI=1S/C26H24FN5O3/c1-16-22-11-17(13-24(25(22)30-15-29-16)35-21-7-9-34-10-8-21)18-12-23(26(33-2)28-14-18)32-31-20-5-3-19(27)4-6-20/h3-6,11-15,21H,7-10H2,1-2H3/b32-31+
InChIKeyPGORFEYMKUPCBI-QNEJGDQOSA-N
MW473.51 g/mol
LogP6.12
Rot. Bonds6

About (4-fluorophenyl)-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]diazene

(4-fluorophenyl)-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]diazene (PubChem CID 177376240) has the molecular formula C26H24FN5O3 and a molecular weight of 473.51 g/mol. Its IUPAC name is (4-fluorophenyl)-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]diazene.

Molecular Properties

Compound Name(4-fluorophenyl)-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]diazene
PubChem CID177376240
Molecular FormulaC26H24FN5O3
Molecular Weight473.51 g/mol
Exact Mass473.19
IUPAC Name(4-fluorophenyl)-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]diazene
SMILESCOc1ncc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cc1/N=N/c1ccc(F)cc1
InChIInChI=1S/C26H24FN5O3/c1-16-22-11-17(13-24(25(22)30-15-29-16)35-21-7-9-34-10-8-21)18-12-23(26(33-2)28-14-18)32-31-20-5-3-19(27)4-6-20/h3-6,11-15,21H,7-10H2,1-2H3/b32-31+
InChIKeyPGORFEYMKUPCBI-QNEJGDQOSA-N
XLogP6.12
TPSA91.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.51
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze (4-fluorophenyl)-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]diazene with MolForge

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Launch Full Analysis

Related Compounds

[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]-phenyldiazene
CID 177376237
(2-bromophenyl)-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]diazene
CID 177376243
6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-8-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline
CID 176913009
6-[5-[[(2,4-difluorophenyl)-methylidene-oxo-λ6-sulfanyl]amino]-6-methoxy-3-pyridinyl]-N-ethyl-4-methyl-8-(oxan-4-yloxy)quinazolin-2-amine
CID 167602832
N-[5-[8-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 176912998
6-[5-[[(2,4-difluorophenyl)-methylidene-oxo-λ6-sulfanyl]amino]-6-methoxy-3-pyridinyl]-N,4-dimethyl-8-[(3S)-oxolan-3-yl]oxyquinazolin-2-amine
CID 167551038
6-bromo-4-methyl-8-[(3S)-oxolan-3-yl]oxyquinazoline
CID 135197733
6-(5-fluoropyrimidin-2-yl)-8-methoxy-4-methylquinazoline
CID 155354002
N-[5-[8-(difluoromethoxy)-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 135197573
2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 135197569
6-(4-fluorophenyl)-8-[(3R)-oxolan-3-yl]oxy-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine
CID 175224330
N-[(2,4-difluorophenyl)-methylidene-oxo-λ6-sulfanyl]-2-methoxy-5-[4-methyl-8-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]pyridin-3-amine
CID 167602403

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]diazene?
The IUPAC name of (4-fluorophenyl)-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]diazene (CID 177376240) is (4-fluorophenyl)-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]diazene.
What is the SMILES notation for (4-fluorophenyl)-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]diazene?
The canonical SMILES for (4-fluorophenyl)-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]diazene is COc1ncc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cc1/N=N/c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]diazene?
The InChIKey is PGORFEYMKUPCBI-QNEJGDQOSA-N. The full InChI is InChI=1S/C26H24FN5O3/c1-16-22-11-17(13-24(25(22)30-15-29-16)35-21-7-9-34-10-8-21)18-12-23(26(33-2)28-14-18)32-31-20-5-3-19(27)4-6-20/h3-6,11-15,21H,7-10H2,1-2H3/b32-31+.
What are the key properties of (4-fluorophenyl)-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]diazene?
(4-fluorophenyl)-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]diazene has a molecular weight of 473.51 g/mol, XLogP of 6.12, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]diazene is sourced from PubChem (CID 177376240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).