3-fluoro-N-(2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl)propanamide

C15H21FN4O — CID 155870831

IUPAC3-fluoro-N-(2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl)propanamide
SMILESO=C(CCF)NC1CCc2nc(N3CCCC3)ncc2C1
InChIInChI=1S/C15H21FN4O/c16-6-5-14(21)18-12-3-4-13-11(9-12)10-17-15(19-13)20-7-1-2-8-20/h10,12H,1-9H2,(H,18,21)
InChIKeyUMLSMQMORJRAEH-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.41
Rot. Bonds4

About 3-fluoro-N-(2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl)propanamide

3-fluoro-N-(2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl)propanamide (PubChem CID 155870831) has the molecular formula C15H21FN4O and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-fluoro-N-(2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl)propanamide.

Molecular Properties

Compound Name3-fluoro-N-(2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl)propanamide
PubChem CID155870831
Molecular FormulaC15H21FN4O
Molecular Weight292.36 g/mol
Exact Mass292.17
IUPAC Name3-fluoro-N-(2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl)propanamide
SMILESO=C(CCF)NC1CCc2nc(N3CCCC3)ncc2C1
InChIInChI=1S/C15H21FN4O/c16-6-5-14(21)18-12-3-4-13-11(9-12)10-17-15(19-13)20-7-1-2-8-20/h10,12H,1-9H2,(H,18,21)
InChIKeyUMLSMQMORJRAEH-UHFFFAOYSA-N
XLogP1.41
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl)propanamide?
The IUPAC name of 3-fluoro-N-(2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl)propanamide (CID 155870831) is 3-fluoro-N-(2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl)propanamide.
What is the SMILES notation for 3-fluoro-N-(2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl)propanamide?
The canonical SMILES for 3-fluoro-N-(2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl)propanamide is O=C(CCF)NC1CCc2nc(N3CCCC3)ncc2C1.
What is the InChIKey of 3-fluoro-N-(2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl)propanamide?
The InChIKey is UMLSMQMORJRAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O/c16-6-5-14(21)18-12-3-4-13-11(9-12)10-17-15(19-13)20-7-1-2-8-20/h10,12H,1-9H2,(H,18,21).
What are the key properties of 3-fluoro-N-(2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl)propanamide?
3-fluoro-N-(2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl)propanamide has a molecular weight of 292.36 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl)propanamide is sourced from PubChem (CID 155870831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).