(2S)-3-cyclopropyl-2-fluoro-2H-quinazoline

C11H11FN2 — CID 174879475

IUPAC(2S)-3-cyclopropyl-2-fluoro-2H-quinazoline
SMILESF[C@@H]1N=c2ccccc2=CN1C1CC1
InChIInChI=1S/C11H11FN2/c12-11-13-10-4-2-1-3-8(10)7-14(11)9-5-6-9/h1-4,7,9,11H,5-6H2/t11-/m1/s1
InChIKeyBWSAZQUWOIXSID-LLVKDONJSA-N
MW190.22 g/mol
LogP0.78
Rot. Bonds1

About (2S)-3-cyclopropyl-2-fluoro-2H-quinazoline

(2S)-3-cyclopropyl-2-fluoro-2H-quinazoline (PubChem CID 174879475) has the molecular formula C11H11FN2 and a molecular weight of 190.22 g/mol. Its IUPAC name is (2S)-3-cyclopropyl-2-fluoro-2H-quinazoline.

Molecular Properties

Compound Name(2S)-3-cyclopropyl-2-fluoro-2H-quinazoline
PubChem CID174879475
Molecular FormulaC11H11FN2
Molecular Weight190.22 g/mol
Exact Mass190.09
IUPAC Name(2S)-3-cyclopropyl-2-fluoro-2H-quinazoline
SMILESF[C@@H]1N=c2ccccc2=CN1C1CC1
InChIInChI=1S/C11H11FN2/c12-11-13-10-4-2-1-3-8(10)7-14(11)9-5-6-9/h1-4,7,9,11H,5-6H2/t11-/m1/s1
InChIKeyBWSAZQUWOIXSID-LLVKDONJSA-N
XLogP0.78
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopropyl-2-fluoro-2H-quinazoline?
The IUPAC name of (2S)-3-cyclopropyl-2-fluoro-2H-quinazoline (CID 174879475) is (2S)-3-cyclopropyl-2-fluoro-2H-quinazoline.
What is the SMILES notation for (2S)-3-cyclopropyl-2-fluoro-2H-quinazoline?
The canonical SMILES for (2S)-3-cyclopropyl-2-fluoro-2H-quinazoline is F[C@@H]1N=c2ccccc2=CN1C1CC1.
What is the InChIKey of (2S)-3-cyclopropyl-2-fluoro-2H-quinazoline?
The InChIKey is BWSAZQUWOIXSID-LLVKDONJSA-N. The full InChI is InChI=1S/C11H11FN2/c12-11-13-10-4-2-1-3-8(10)7-14(11)9-5-6-9/h1-4,7,9,11H,5-6H2/t11-/m1/s1.
What are the key properties of (2S)-3-cyclopropyl-2-fluoro-2H-quinazoline?
(2S)-3-cyclopropyl-2-fluoro-2H-quinazoline has a molecular weight of 190.22 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopropyl-2-fluoro-2H-quinazoline is sourced from PubChem (CID 174879475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).