1-[2-(5-fluoro-1H-indazol-4-yl)ethyl]-6,7-dimethoxy-2-methyl-2H-quinazolin-4-amine

C20H22FN5O2 — CID 175785214

IUPAC1-[2-(5-fluoro-1H-indazol-4-yl)ethyl]-6,7-dimethoxy-2-methyl-2H-quinazolin-4-amine
SMILESCOc1cc2c(cc1OC)N(CCc1c(F)ccc3[nH]ncc13)C(C)N=C2N
InChIInChI=1S/C20H22FN5O2/c1-11-24-20(22)13-8-18(27-2)19(28-3)9-17(13)26(11)7-6-12-14-10-23-25-16(14)5-4-15(12)21/h4-5,8-11H,6-7H2,1-3H3,(H2,22,24)(H,23,25)
InChIKeyHOHQEVFNUAYKIQ-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.83
Rot. Bonds5

About 1-[2-(5-fluoro-1H-indazol-4-yl)ethyl]-6,7-dimethoxy-2-methyl-2H-quinazolin-4-amine

1-[2-(5-fluoro-1H-indazol-4-yl)ethyl]-6,7-dimethoxy-2-methyl-2H-quinazolin-4-amine (PubChem CID 175785214) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is 1-[2-(5-fluoro-1H-indazol-4-yl)ethyl]-6,7-dimethoxy-2-methyl-2H-quinazolin-4-amine.

Molecular Properties

Compound Name1-[2-(5-fluoro-1H-indazol-4-yl)ethyl]-6,7-dimethoxy-2-methyl-2H-quinazolin-4-amine
PubChem CID175785214
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name1-[2-(5-fluoro-1H-indazol-4-yl)ethyl]-6,7-dimethoxy-2-methyl-2H-quinazolin-4-amine
SMILESCOc1cc2c(cc1OC)N(CCc1c(F)ccc3[nH]ncc13)C(C)N=C2N
InChIInChI=1S/C20H22FN5O2/c1-11-24-20(22)13-8-18(27-2)19(28-3)9-17(13)26(11)7-6-12-14-10-23-25-16(14)5-4-15(12)21/h4-5,8-11H,6-7H2,1-3H3,(H2,22,24)(H,23,25)
InChIKeyHOHQEVFNUAYKIQ-UHFFFAOYSA-N
XLogP2.83
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-1H-indazol-4-yl)ethyl]-6,7-dimethoxy-2-methyl-2H-quinazolin-4-amine?
The IUPAC name of 1-[2-(5-fluoro-1H-indazol-4-yl)ethyl]-6,7-dimethoxy-2-methyl-2H-quinazolin-4-amine (CID 175785214) is 1-[2-(5-fluoro-1H-indazol-4-yl)ethyl]-6,7-dimethoxy-2-methyl-2H-quinazolin-4-amine.
What is the SMILES notation for 1-[2-(5-fluoro-1H-indazol-4-yl)ethyl]-6,7-dimethoxy-2-methyl-2H-quinazolin-4-amine?
The canonical SMILES for 1-[2-(5-fluoro-1H-indazol-4-yl)ethyl]-6,7-dimethoxy-2-methyl-2H-quinazolin-4-amine is COc1cc2c(cc1OC)N(CCc1c(F)ccc3[nH]ncc13)C(C)N=C2N.
What is the InChIKey of 1-[2-(5-fluoro-1H-indazol-4-yl)ethyl]-6,7-dimethoxy-2-methyl-2H-quinazolin-4-amine?
The InChIKey is HOHQEVFNUAYKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c1-11-24-20(22)13-8-18(27-2)19(28-3)9-17(13)26(11)7-6-12-14-10-23-25-16(14)5-4-15(12)21/h4-5,8-11H,6-7H2,1-3H3,(H2,22,24)(H,23,25).
What are the key properties of 1-[2-(5-fluoro-1H-indazol-4-yl)ethyl]-6,7-dimethoxy-2-methyl-2H-quinazolin-4-amine?
1-[2-(5-fluoro-1H-indazol-4-yl)ethyl]-6,7-dimethoxy-2-methyl-2H-quinazolin-4-amine has a molecular weight of 383.43 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-fluoro-1H-indazol-4-yl)ethyl]-6,7-dimethoxy-2-methyl-2H-quinazolin-4-amine is sourced from PubChem (CID 175785214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).