6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(Z)-2-[(Z)-2-methoxyprop-1-enyl]pent-2-enyl]quinazolin-4-amine

C23H25FN4O2 — CID 155728631

IUPAC6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(Z)-2-[(Z)-2-methoxyprop-1-enyl]pent-2-enyl]quinazolin-4-amine
SMILESCC/C=C(/C=C(/C)OC)CNc1ncnc2c(OC)cc(-c3ccc(F)cn3)cc12
InChIInChI=1S/C23H25FN4O2/c1-5-6-16(9-15(2)29-3)12-26-23-19-10-17(20-8-7-18(24)13-25-20)11-21(30-4)22(19)27-14-28-23/h6-11,13-14H,5,12H2,1-4H3,(H,26,27,28)/b15-9-,16-6-
InChIKeyYKTOSPVCULOPJL-LUEYETGZSA-N
MW408.48 g/mol
LogP5.14
Rot. Bonds8

About 6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(Z)-2-[(Z)-2-methoxyprop-1-enyl]pent-2-enyl]quinazolin-4-amine

6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(Z)-2-[(Z)-2-methoxyprop-1-enyl]pent-2-enyl]quinazolin-4-amine (PubChem CID 155728631) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(Z)-2-[(Z)-2-methoxyprop-1-enyl]pent-2-enyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(Z)-2-[(Z)-2-methoxyprop-1-enyl]pent-2-enyl]quinazolin-4-amine
PubChem CID155728631
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(Z)-2-[(Z)-2-methoxyprop-1-enyl]pent-2-enyl]quinazolin-4-amine
SMILESCC/C=C(/C=C(/C)OC)CNc1ncnc2c(OC)cc(-c3ccc(F)cn3)cc12
InChIInChI=1S/C23H25FN4O2/c1-5-6-16(9-15(2)29-3)12-26-23-19-10-17(20-8-7-18(24)13-25-20)11-21(30-4)22(19)27-14-28-23/h6-11,13-14H,5,12H2,1-4H3,(H,26,27,28)/b15-9-,16-6-
InChIKeyYKTOSPVCULOPJL-LUEYETGZSA-N
XLogP5.14
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.48
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(Z)-2-[(Z)-2-methoxyprop-1-enyl]pent-2-enyl]quinazolin-4-amine?
The IUPAC name of 6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(Z)-2-[(Z)-2-methoxyprop-1-enyl]pent-2-enyl]quinazolin-4-amine (CID 155728631) is 6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(Z)-2-[(Z)-2-methoxyprop-1-enyl]pent-2-enyl]quinazolin-4-amine.
What is the SMILES notation for 6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(Z)-2-[(Z)-2-methoxyprop-1-enyl]pent-2-enyl]quinazolin-4-amine?
The canonical SMILES for 6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(Z)-2-[(Z)-2-methoxyprop-1-enyl]pent-2-enyl]quinazolin-4-amine is CC/C=C(/C=C(/C)OC)CNc1ncnc2c(OC)cc(-c3ccc(F)cn3)cc12.
What is the InChIKey of 6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(Z)-2-[(Z)-2-methoxyprop-1-enyl]pent-2-enyl]quinazolin-4-amine?
The InChIKey is YKTOSPVCULOPJL-LUEYETGZSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-5-6-16(9-15(2)29-3)12-26-23-19-10-17(20-8-7-18(24)13-25-20)11-21(30-4)22(19)27-14-28-23/h6-11,13-14H,5,12H2,1-4H3,(H,26,27,28)/b15-9-,16-6-.
What are the key properties of 6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(Z)-2-[(Z)-2-methoxyprop-1-enyl]pent-2-enyl]quinazolin-4-amine?
6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(Z)-2-[(Z)-2-methoxyprop-1-enyl]pent-2-enyl]quinazolin-4-amine has a molecular weight of 408.48 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(Z)-2-[(Z)-2-methoxyprop-1-enyl]pent-2-enyl]quinazolin-4-amine is sourced from PubChem (CID 155728631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).