2-[4-[3-(ethylamino)pyrrolidin-1-yl]-7-methylquinazolin-2-yl]-3-fluorophenol

C21H23FN4O — CID 141177982

IUPAC2-[4-[3-(ethylamino)pyrrolidin-1-yl]-7-methylquinazolin-2-yl]-3-fluorophenol
SMILESCCNC1CCN(c2nc(-c3c(O)cccc3F)nc3cc(C)ccc23)C1
InChIInChI=1S/C21H23FN4O/c1-3-23-14-9-10-26(12-14)21-15-8-7-13(2)11-17(15)24-20(25-21)19-16(22)5-4-6-18(19)27/h4-8,11,14,23,27H,3,9-10,12H2,1-2H3
InChIKeyKIJVBOGEHGOBTH-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.64
Rot. Bonds4

About 2-[4-[3-(ethylamino)pyrrolidin-1-yl]-7-methylquinazolin-2-yl]-3-fluorophenol

2-[4-[3-(ethylamino)pyrrolidin-1-yl]-7-methylquinazolin-2-yl]-3-fluorophenol (PubChem CID 141177982) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-[4-[3-(ethylamino)pyrrolidin-1-yl]-7-methylquinazolin-2-yl]-3-fluorophenol.

Molecular Properties

Compound Name2-[4-[3-(ethylamino)pyrrolidin-1-yl]-7-methylquinazolin-2-yl]-3-fluorophenol
PubChem CID141177982
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name2-[4-[3-(ethylamino)pyrrolidin-1-yl]-7-methylquinazolin-2-yl]-3-fluorophenol
SMILESCCNC1CCN(c2nc(-c3c(O)cccc3F)nc3cc(C)ccc23)C1
InChIInChI=1S/C21H23FN4O/c1-3-23-14-9-10-26(12-14)21-15-8-7-13(2)11-17(15)24-20(25-21)19-16(22)5-4-6-18(19)27/h4-8,11,14,23,27H,3,9-10,12H2,1-2H3
InChIKeyKIJVBOGEHGOBTH-UHFFFAOYSA-N
XLogP3.64
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(ethylamino)pyrrolidin-1-yl]-7-methylquinazolin-2-yl]-3-fluorophenol?
The IUPAC name of 2-[4-[3-(ethylamino)pyrrolidin-1-yl]-7-methylquinazolin-2-yl]-3-fluorophenol (CID 141177982) is 2-[4-[3-(ethylamino)pyrrolidin-1-yl]-7-methylquinazolin-2-yl]-3-fluorophenol.
What is the SMILES notation for 2-[4-[3-(ethylamino)pyrrolidin-1-yl]-7-methylquinazolin-2-yl]-3-fluorophenol?
The canonical SMILES for 2-[4-[3-(ethylamino)pyrrolidin-1-yl]-7-methylquinazolin-2-yl]-3-fluorophenol is CCNC1CCN(c2nc(-c3c(O)cccc3F)nc3cc(C)ccc23)C1.
What is the InChIKey of 2-[4-[3-(ethylamino)pyrrolidin-1-yl]-7-methylquinazolin-2-yl]-3-fluorophenol?
The InChIKey is KIJVBOGEHGOBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-3-23-14-9-10-26(12-14)21-15-8-7-13(2)11-17(15)24-20(25-21)19-16(22)5-4-6-18(19)27/h4-8,11,14,23,27H,3,9-10,12H2,1-2H3.
What are the key properties of 2-[4-[3-(ethylamino)pyrrolidin-1-yl]-7-methylquinazolin-2-yl]-3-fluorophenol?
2-[4-[3-(ethylamino)pyrrolidin-1-yl]-7-methylquinazolin-2-yl]-3-fluorophenol has a molecular weight of 366.44 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(ethylamino)pyrrolidin-1-yl]-7-methylquinazolin-2-yl]-3-fluorophenol is sourced from PubChem (CID 141177982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).