N-(3-fluorophenyl)-4-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-2-amine

C23H18FN5O2 — CID 68703140

IUPACN-(3-fluorophenyl)-4-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-2-amine
SMILESCOc1cc2nc(Nc3cccc(F)c3)nc(-c3ccc4[nH]ncc4c3)c2cc1OC
InChIInChI=1S/C23H18FN5O2/c1-30-20-10-17-19(11-21(20)31-2)27-23(26-16-5-3-4-15(24)9-16)28-22(17)13-6-7-18-14(8-13)12-25-29-18/h3-12H,1-2H3,(H,25,29)(H,26,27,28)
InChIKeyOZZATUSLIYOQTQ-UHFFFAOYSA-N
MW415.43 g/mol
LogP5.07
Rot. Bonds5

About N-(3-fluorophenyl)-4-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-2-amine

N-(3-fluorophenyl)-4-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-2-amine (PubChem CID 68703140) has the molecular formula C23H18FN5O2 and a molecular weight of 415.43 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-2-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-2-amine
PubChem CID68703140
Molecular FormulaC23H18FN5O2
Molecular Weight415.43 g/mol
Exact Mass415.14
IUPAC NameN-(3-fluorophenyl)-4-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-2-amine
SMILESCOc1cc2nc(Nc3cccc(F)c3)nc(-c3ccc4[nH]ncc4c3)c2cc1OC
InChIInChI=1S/C23H18FN5O2/c1-30-20-10-17-19(11-21(20)31-2)27-23(26-16-5-3-4-15(24)9-16)28-22(17)13-6-7-18-14(8-13)12-25-29-18/h3-12H,1-2H3,(H,25,29)(H,26,27,28)
InChIKeyOZZATUSLIYOQTQ-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 N-(3-fluorophenyl)-4-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-2-amine?
The IUPAC name of N-(3-fluorophenyl)-4-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-2-amine (CID 68703140) is N-(3-fluorophenyl)-4-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-2-amine.
What is the SMILES notation for N-(3-fluorophenyl)-4-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-2-amine?
The canonical SMILES for N-(3-fluorophenyl)-4-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-2-amine is COc1cc2nc(Nc3cccc(F)c3)nc(-c3ccc4[nH]ncc4c3)c2cc1OC.
What is the InChIKey of N-(3-fluorophenyl)-4-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-2-amine?
The InChIKey is OZZATUSLIYOQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O2/c1-30-20-10-17-19(11-21(20)31-2)27-23(26-16-5-3-4-15(24)9-16)28-22(17)13-6-7-18-14(8-13)12-25-29-18/h3-12H,1-2H3,(H,25,29)(H,26,27,28).
What are the key properties of N-(3-fluorophenyl)-4-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-2-amine?
N-(3-fluorophenyl)-4-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-2-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 N-(3-fluorophenyl)-4-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-2-amine is sourced from PubChem (CID 68703140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).