N-(1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

C23H16F3N5O — CID 11990675

IUPACN-(1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESCOc1cccc2c(Nc3n[nH]c4ccccc34)nc(-c3ccccc3C(F)(F)F)nc12
InChIInChI=1S/C23H16F3N5O/c1-32-18-12-6-9-15-19(18)27-20(13-7-2-4-10-16(13)23(24,25)26)28-21(15)29-22-14-8-3-5-11-17(14)30-31-22/h2-12H,1H3,(H2,27,28,29,30,31)
InChIKeyGKFDPZQXVONTEX-UHFFFAOYSA-N
MW435.41 g/mol
LogP5.94
Rot. Bonds4

About N-(1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

N-(1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (PubChem CID 11990675) has the molecular formula C23H16F3N5O and a molecular weight of 435.41 g/mol. Its IUPAC name is N-(1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-(1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
PubChem CID11990675
Molecular FormulaC23H16F3N5O
Molecular Weight435.41 g/mol
Exact Mass435.13
IUPAC NameN-(1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESCOc1cccc2c(Nc3n[nH]c4ccccc34)nc(-c3ccccc3C(F)(F)F)nc12
InChIInChI=1S/C23H16F3N5O/c1-32-18-12-6-9-15-19(18)27-20(13-7-2-4-10-16(13)23(24,25)26)28-21(15)29-22-14-8-3-5-11-17(14)30-31-22/h2-12H,1H3,(H2,27,28,29,30,31)
InChIKeyGKFDPZQXVONTEX-UHFFFAOYSA-N
XLogP5.94
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.41
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The IUPAC name of N-(1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (CID 11990675) is N-(1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.
What is the SMILES notation for N-(1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The canonical SMILES for N-(1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is COc1cccc2c(Nc3n[nH]c4ccccc34)nc(-c3ccccc3C(F)(F)F)nc12.
What is the InChIKey of N-(1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The InChIKey is GKFDPZQXVONTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N5O/c1-32-18-12-6-9-15-19(18)27-20(13-7-2-4-10-16(13)23(24,25)26)28-21(15)29-22-14-8-3-5-11-17(14)30-31-22/h2-12H,1H3,(H2,27,28,29,30,31).
What are the key properties of N-(1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
N-(1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine has a molecular weight of 435.41 g/mol, XLogP of 5.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 11990675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).