2-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-4-amine

C23H18FN5O2 — CID 23075198

IUPAC2-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2nc(-c3ccc(F)cc3)nc(Nc3ccc4[nH]ncc4c3)c2cc1OC
InChIInChI=1S/C23H18FN5O2/c1-30-20-10-17-19(11-21(20)31-2)27-22(13-3-5-15(24)6-4-13)28-23(17)26-16-7-8-18-14(9-16)12-25-29-18/h3-12H,1-2H3,(H,25,29)(H,26,27,28)
InChIKeySPDDHUODLWQPBT-UHFFFAOYSA-N
MW415.43 g/mol
LogP5.07
Rot. Bonds5

About 2-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-4-amine

2-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-4-amine (PubChem CID 23075198) has the molecular formula C23H18FN5O2 and a molecular weight of 415.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-4-amine
PubChem CID23075198
Molecular FormulaC23H18FN5O2
Molecular Weight415.43 g/mol
Exact Mass415.14
IUPAC Name2-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2nc(-c3ccc(F)cc3)nc(Nc3ccc4[nH]ncc4c3)c2cc1OC
InChIInChI=1S/C23H18FN5O2/c1-30-20-10-17-19(11-21(20)31-2)27-22(13-3-5-15(24)6-4-13)28-23(17)26-16-7-8-18-14(9-16)12-25-29-18/h3-12H,1-2H3,(H,25,29)(H,26,27,28)
InChIKeySPDDHUODLWQPBT-UHFFFAOYSA-N
XLogP5.07
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.43
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-4-amine?
The IUPAC name of 2-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-4-amine (CID 23075198) is 2-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-4-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-4-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-4-amine is COc1cc2nc(-c3ccc(F)cc3)nc(Nc3ccc4[nH]ncc4c3)c2cc1OC.
What is the InChIKey of 2-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-4-amine?
The InChIKey is SPDDHUODLWQPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O2/c1-30-20-10-17-19(11-21(20)31-2)27-22(13-3-5-15(24)6-4-13)28-23(17)26-16-7-8-18-14(9-16)12-25-29-18/h3-12H,1-2H3,(H,25,29)(H,26,27,28).
What are the key properties of 2-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-4-amine?
2-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-4-amine has a molecular weight of 415.43 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 23075198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).