(2S)-N-(2-fluorophenyl)-2-quinazolin-4-yloxypropanamide

C17H14FN3O2 — CID 2472021

IUPAC(2S)-N-(2-fluorophenyl)-2-quinazolin-4-yloxypropanamide
SMILESC[C@H](Oc1ncnc2ccccc12)C(=O)Nc1ccccc1F
InChIInChI=1S/C17H14FN3O2/c1-11(16(22)21-15-9-5-3-7-13(15)18)23-17-12-6-2-4-8-14(12)19-10-20-17/h2-11H,1H3,(H,21,22)/t11-/m0/s1
InChIKeyGRTMLJXUKWSTFQ-NSHDSACASA-N
MW311.32 g/mol
LogP3.17
Rot. Bonds4

About (2S)-N-(2-fluorophenyl)-2-quinazolin-4-yloxypropanamide

(2S)-N-(2-fluorophenyl)-2-quinazolin-4-yloxypropanamide (PubChem CID 2472021) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is (2S)-N-(2-fluorophenyl)-2-quinazolin-4-yloxypropanamide.

Molecular Properties

Compound Name(2S)-N-(2-fluorophenyl)-2-quinazolin-4-yloxypropanamide
PubChem CID2472021
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Name(2S)-N-(2-fluorophenyl)-2-quinazolin-4-yloxypropanamide
SMILESC[C@H](Oc1ncnc2ccccc12)C(=O)Nc1ccccc1F
InChIInChI=1S/C17H14FN3O2/c1-11(16(22)21-15-9-5-3-7-13(15)18)23-17-12-6-2-4-8-14(12)19-10-20-17/h2-11H,1H3,(H,21,22)/t11-/m0/s1
InChIKeyGRTMLJXUKWSTFQ-NSHDSACASA-N
XLogP3.17
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-fluorophenyl)-2-quinazolin-4-yloxypropanamide?
The IUPAC name of (2S)-N-(2-fluorophenyl)-2-quinazolin-4-yloxypropanamide (CID 2472021) is (2S)-N-(2-fluorophenyl)-2-quinazolin-4-yloxypropanamide.
What is the SMILES notation for (2S)-N-(2-fluorophenyl)-2-quinazolin-4-yloxypropanamide?
The canonical SMILES for (2S)-N-(2-fluorophenyl)-2-quinazolin-4-yloxypropanamide is C[C@H](Oc1ncnc2ccccc12)C(=O)Nc1ccccc1F.
What is the InChIKey of (2S)-N-(2-fluorophenyl)-2-quinazolin-4-yloxypropanamide?
The InChIKey is GRTMLJXUKWSTFQ-NSHDSACASA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-11(16(22)21-15-9-5-3-7-13(15)18)23-17-12-6-2-4-8-14(12)19-10-20-17/h2-11H,1H3,(H,21,22)/t11-/m0/s1.
What are the key properties of (2S)-N-(2-fluorophenyl)-2-quinazolin-4-yloxypropanamide?
(2S)-N-(2-fluorophenyl)-2-quinazolin-4-yloxypropanamide has a molecular weight of 311.32 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-fluorophenyl)-2-quinazolin-4-yloxypropanamide is sourced from PubChem (CID 2472021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).