3-(4-fluoronaphthalen-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide

C21H20FN3O2 — CID 154851013

IUPAC3-(4-fluoronaphthalen-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide
SMILESO=C(CCc1ccc(F)c2ccccc12)Nc1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C21H20FN3O2/c22-17-11-9-13(14-5-1-2-6-15(14)17)10-12-19(26)24-21-23-18-8-4-3-7-16(18)20(27)25-21/h1-2,5-6,9,11H,3-4,7-8,10,12H2,(H2,23,24,25,26,27)
InChIKeyZHSYTAMFKGXAHV-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.51
Rot. Bonds4

About 3-(4-fluoronaphthalen-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide

3-(4-fluoronaphthalen-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide (PubChem CID 154851013) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 3-(4-fluoronaphthalen-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-fluoronaphthalen-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide
PubChem CID154851013
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name3-(4-fluoronaphthalen-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide
SMILESO=C(CCc1ccc(F)c2ccccc12)Nc1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C21H20FN3O2/c22-17-11-9-13(14-5-1-2-6-15(14)17)10-12-19(26)24-21-23-18-8-4-3-7-16(18)20(27)25-21/h1-2,5-6,9,11H,3-4,7-8,10,12H2,(H2,23,24,25,26,27)
InChIKeyZHSYTAMFKGXAHV-UHFFFAOYSA-N
XLogP3.51
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoronaphthalen-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide?
The IUPAC name of 3-(4-fluoronaphthalen-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide (CID 154851013) is 3-(4-fluoronaphthalen-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide.
What is the SMILES notation for 3-(4-fluoronaphthalen-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide?
The canonical SMILES for 3-(4-fluoronaphthalen-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide is O=C(CCc1ccc(F)c2ccccc12)Nc1nc2c(c(=O)[nH]1)CCCC2.
What is the InChIKey of 3-(4-fluoronaphthalen-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide?
The InChIKey is ZHSYTAMFKGXAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c22-17-11-9-13(14-5-1-2-6-15(14)17)10-12-19(26)24-21-23-18-8-4-3-7-16(18)20(27)25-21/h1-2,5-6,9,11H,3-4,7-8,10,12H2,(H2,23,24,25,26,27).
What are the key properties of 3-(4-fluoronaphthalen-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide?
3-(4-fluoronaphthalen-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide has a molecular weight of 365.41 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoronaphthalen-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide is sourced from PubChem (CID 154851013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).